Browse entries in the PDBbind-CN Database

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Related entries of code: 1aq7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1aujRCSB PDB    PDBbind223aa, >1AUJ_1|Chain... at 100%
1bjuRCSB PDB    PDBbind223aa, >1BJU_1|Chain... at 100%
1bjvRCSB PDB    PDBbind223aa, >1BJV_1|Chain... at 100%
1btyRCSB PDB    PDBbind229aa, >1BTY_1|Chain... at 100%
1c1rRCSB PDB    PDBbind223aa, >1C1R_1|Chain... at 100%
1c5pRCSB PDB    PDBbind223aa, >1C5P_1|Chain... at 100%
1c5qRCSB PDB    PDBbind223aa, >1C5Q_1|Chain... at 100%
1c5sRCSB PDB    PDBbind223aa, >1C5S_1|Chain... at 100%
1c5tRCSB PDB    PDBbind223aa, >1C5T_1|Chain... at 100%
1ce5RCSB PDB    PDBbind223aa, >1CE5_1|Chain... at 100%
1eb2RCSB PDB    PDBbind223aa, >1EB2_1|Chain... at 100%
1f0tRCSB PDB    PDBbind243aa, >1F0T_1|Chain... *
1f0uRCSB PDB    PDBbind243aa, >1F0U_1|Chain... at 100%
1g36RCSB PDB    PDBbind223aa, >1G36_1|Chain... at 100%
1g3bRCSB PDB    PDBbind228aa, >1G3B_1|Chain... at 100%
1g3cRCSB PDB    PDBbind228aa, >1G3C_1|Chain... at 100%
1g3dRCSB PDB    PDBbind228aa, >1G3D_1|Chain... at 100%
1g3eRCSB PDB    PDBbind228aa, >1G3E_1|Chain... at 100%
1gbtRCSB PDB    PDBbind223aa, >1GBT_1|Chain... at 100%
1ghzRCSB PDB    PDBbind223aa, >1GHZ_1|Chain... at 100%
1gi1RCSB PDB    PDBbind223aa, >1GI1_1|Chain... at 100%
1gi4RCSB PDB    PDBbind223aa, >1GI4_1|Chain... at 100%
1gi6RCSB PDB    PDBbind223aa, >1GI6_1|Chain... at 100%
1gj6RCSB PDB    PDBbind223aa, >1GJ6_1|Chain... at 100%
1jrsRCSB PDB    PDBbind223aa, >1JRS_1|Chain... at 100%
1k1iRCSB PDB    PDBbind223aa, >1K1I_1|Chain... at 100%
1k1jRCSB PDB    PDBbind223aa, >1K1J_1|Chain... at 100%
1k1lRCSB PDB    PDBbind223aa, >1K1L_1|Chain... at 100%
1k1mRCSB PDB    PDBbind223aa, >1K1M_1|Chain... at 100%
1k1nRCSB PDB    PDBbind223aa, >1K1N_1|Chain... at 100%
1k1oRCSB PDB    PDBbind223aa, >1K1O_1|Chain... at 100%
1k1pRCSB PDB    PDBbind223aa, >1K1P_1|Chain... at 100%
1lqeRCSB PDB    PDBbind243aa, >1LQE_1|Chain... at 100%
1nc6RCSB PDB    PDBbind223aa, >1NC6_1|Chain... at 100%
1o2hRCSB PDB    PDBbind223aa, >1O2H_1|Chain... at 100%
1o2jRCSB PDB    PDBbind223aa, >1O2J_1|Chain... at 100%
1o2kRCSB PDB    PDBbind223aa, >1O2K_1|Chain... at 100%
1o2nRCSB PDB    PDBbind223aa, >1O2N_1|Chain... at 100%
1o2oRCSB PDB    PDBbind223aa, >1O2O_1|Chain... at 100%
1o2pRCSB PDB    PDBbind223aa, >1O2P_1|Chain... at 100%
1o2qRCSB PDB    PDBbind223aa, >1O2Q_1|Chain... at 100%
1o2rRCSB PDB    PDBbind223aa, >1O2R_1|Chain... at 100%
1o2sRCSB PDB    PDBbind223aa, >1O2S_1|Chain... at 100%
1o2tRCSB PDB    PDBbind223aa, >1O2T_1|Chain... at 100%
1o2uRCSB PDB    PDBbind223aa, >1O2U_1|Chain... at 100%
1o2vRCSB PDB    PDBbind223aa, >1O2V_1|Chain... at 100%
1o2wRCSB PDB    PDBbind223aa, >1O2W_1|Chain... at 100%
1o2xRCSB PDB    PDBbind223aa, >1O2X_1|Chain... at 100%
1o2yRCSB PDB    PDBbind223aa, >1O2Y_1|Chain... at 100%
1o2zRCSB PDB    PDBbind223aa, >1O2Z_1|Chain... at 100%
1o30RCSB PDB    PDBbind223aa, >1O30_1|Chain... at 100%
1o32RCSB PDB    PDBbind223aa, >1O32_1|Chain... at 100%
1o33RCSB PDB    PDBbind223aa, >1O33_1|Chain... at 100%
1o34RCSB PDB    PDBbind223aa, >1O34_1|Chain... at 100%
1o35RCSB PDB    PDBbind223aa, >1O35_1|Chain... at 100%
1o36RCSB PDB    PDBbind223aa, >1O36_1|Chain... at 100%
1o37RCSB PDB    PDBbind223aa, >1O37_1|Chain... at 100%
1o38RCSB PDB    PDBbind223aa, >1O38_1|Chain... at 100%
1o39RCSB PDB    PDBbind223aa, >1O39_1|Chain... at 100%
1o3bRCSB PDB    PDBbind223aa, >1O3B_1|Chain... at 100%
1o3cRCSB PDB    PDBbind223aa, >1O3C_1|Chain... at 100%
1o3dRCSB PDB    PDBbind223aa, >1O3D_1|Chain... at 100%
1o3eRCSB PDB    PDBbind223aa, >1O3E_1|Chain... at 100%
1o3fRCSB PDB    PDBbind223aa, >1O3F_1|Chain... at 100%
1o3gRCSB PDB    PDBbind223aa, >1O3G_1|Chain... at 100%
1o3hRCSB PDB    PDBbind223aa, >1O3H_1|Chain... at 100%
1o3iRCSB PDB    PDBbind223aa, >1O3I_1|Chain... at 100%
1o3jRCSB PDB    PDBbind223aa, >1O3J_1|Chain... at 100%
1o3kRCSB PDB    PDBbind223aa, >1O3K_1|Chain... at 100%
1o3lRCSB PDB    PDBbind223aa, >1O3L_1|Chain... at 100%
1ophRCSB PDB    PDBbind243aa, >1OPH_2|Chain... at 99%
1oyqRCSB PDB    PDBbind223aa, >1OYQ_1|Chain... at 100%
1ppcRCSB PDB    PDBbind223aa, >1PPC_1|Chain... at 100%
1pphRCSB PDB    PDBbind223aa, >1PPH_1|Chain... at 100%
1qb1RCSB PDB    PDBbind223aa, >1QB1_1|Chain... at 100%
1qb6RCSB PDB    PDBbind223aa, >1QB6_1|Chain... at 100%
1qb9RCSB PDB    PDBbind223aa, >1QB9_1|Chain... at 100%
1qbnRCSB PDB    PDBbind223aa, >1QBN_1|Chain... at 100%
1qboRCSB PDB    PDBbind223aa, >1QBO_1|Chain... at 100%
1qcpRCSB PDB    PDBbind223aa, >1QCP_1|Chain... at 100%
1ql7RCSB PDB    PDBbind223aa, >1QL7_1|Chain... at 100%
1rxpRCSB PDB    PDBbind223aa, >1RXP_1|Chain... at 100%
1tngRCSB PDB    PDBbind229aa, >1TNG_1|Chain... at 100%
1tnhRCSB PDB    PDBbind229aa, >1TNH_1|Chain... at 100%
1tniRCSB PDB    PDBbind229aa, >1TNI_1|Chain... at 100%
1tnjRCSB PDB    PDBbind229aa, >1TNJ_1|Chain... at 100%
1tnkRCSB PDB    PDBbind229aa, >1TNK_1|Chain... at 100%
1tnlRCSB PDB    PDBbind229aa, >1TNL_1|Chain... at 100%
1tpsRCSB PDB    PDBbind223aa, >1TPS_1|Chain... at 100%
1tx7RCSB PDB    PDBbind223aa, >1TX7_1|Chain... at 100%
1tynRCSB PDB    PDBbind223aa, >1TYN_1|Chain... at 100%
1utnRCSB PDB    PDBbind243aa, >1UTN_1|Chain... at 100%
1utoRCSB PDB    PDBbind243aa, >1UTO_1|Chain... at 100%
1utpRCSB PDB    PDBbind243aa, >1UTP_1|Chain... at 100%
1v2jRCSB PDB    PDBbind223aa, >1V2J_1|Chain... at 98%
1v2kRCSB PDB    PDBbind223aa, >1V2K_1|Chain... at 96%
1v2lRCSB PDB    PDBbind223aa, >1V2L_1|Chain... at 96%
1v2mRCSB PDB    PDBbind223aa, >1V2M_1|Chain... at 96%
1v2nRCSB PDB    PDBbind223aa, >1V2N_1|Chain... at 96%
1v2oRCSB PDB    PDBbind223aa, >1V2O_1|Chain... at 98%
1v2pRCSB PDB    PDBbind223aa, >1V2P_1|Chain... at 98%
1v2qRCSB PDB    PDBbind223aa, >1V2Q_1|Chain... at 98%
1v2rRCSB PDB    PDBbind223aa, >1V2R_1|Chain... at 98%
1v2sRCSB PDB    PDBbind223aa, >1V2S_1|Chain... at 97%
1v2tRCSB PDB    PDBbind223aa, >1V2T_1|Chain... at 97%
1v2uRCSB PDB    PDBbind223aa, >1V2U_1|Chain... at 98%
1v2vRCSB PDB    PDBbind223aa, >1V2V_1|Chain... at 98%
1v2wRCSB PDB    PDBbind223aa, >1V2W_1|Chain... at 98%
1xugRCSB PDB    PDBbind223aa, >1XUG_1|Chain... at 100%
1y3vRCSB PDB    PDBbind223aa, >1Y3V_1|Chain... at 100%
1y3wRCSB PDB    PDBbind223aa, >1Y3W_1|Chain... at 100%
1y3xRCSB PDB    PDBbind223aa, >1Y3X_1|Chain... at 100%
1y3yRCSB PDB    PDBbind223aa, >1Y3Y_1|Chain... at 100%
1yp9RCSB PDB    PDBbind223aa, >1YP9_1|Chain... at 100%
1yyyRCSB PDB    PDBbind223aa, >1YYY_1|Chain... at 100%
1zzzRCSB PDB    PDBbind237aa, >1ZZZ_1|Chain... at 100%
2bzaRCSB PDB    PDBbind223aa, >2BZA_1|Chain... at 100%
2fx6RCSB PDB    PDBbind223aa, >2FX6_1|Chain... at 100%
2j9nRCSB PDB    PDBbind223aa, >2J9N_1|Chain... at 100%
2zdkRCSB PDB    PDBbind223aa, >2ZDK_1|Chain... at 100%
2zdlRCSB PDB    PDBbind223aa, >2ZDL_1|Chain... at 100%
2zdmRCSB PDB    PDBbind223aa, >2ZDM_1|Chain... at 100%
2zdnRCSB PDB    PDBbind223aa, >2ZDN_1|Chain... at 100%
2zfsRCSB PDB    PDBbind223aa, >2ZFS_1|Chain... at 100%
2zftRCSB PDB    PDBbind223aa, >2ZFT_1|Chain... at 100%
2zhdRCSB PDB    PDBbind223aa, >2ZHD_1|Chain... at 100%
2zq1RCSB PDB    PDBbind223aa, >2ZQ1_1|Chain... at 100%
2zq2RCSB PDB    PDBbind223aa, >2ZQ2_1|Chain... at 100%
3aasRCSB PDB    PDBbind223aa, >3AAS_1|Chain... at 100%
3aauRCSB PDB    PDBbind223aa, >3AAU_1|Chain... at 100%
3aavRCSB PDB    PDBbind223aa, >3AAV_1|Chains... at 100%
3atiRCSB PDB    PDBbind223aa, >3ATI_1|Chain... at 100%
3atkRCSB PDB    PDBbind223aa, >3ATK_1|Chain... at 100%
3atlRCSB PDB    PDBbind223aa, >3ATL_1|Chain... at 100%
3atmRCSB PDB    PDBbind223aa, >3ATM_1|Chain... at 100%
3gy2RCSB PDB    PDBbind223aa, >3GY2_1|Chain... at 100%
3gy3RCSB PDB    PDBbind223aa, >3GY3_1|Chain... at 100%
3gy4RCSB PDB    PDBbind223aa, >3GY4_1|Chain... at 100%
3gy7RCSB PDB    PDBbind223aa, >3GY7_1|Chain... at 100%
3ljjRCSB PDB    PDBbind223aa, >3LJJ_1|Chain... at 100%
3ljoRCSB PDB    PDBbind223aa, >3LJO_1|Chain... at 100%
3m35RCSB PDB    PDBbind223aa, >3M35_1|Chain... at 100%
3nk8RCSB PDB    PDBbind223aa, >3NK8_1|Chain... at 100%
3nkkRCSB PDB    PDBbind223aa, >3NKK_1|Chain... at 100%
3rxaRCSB PDB    PDBbind223aa, >3RXA_1|Chain... at 100%
3rxbRCSB PDB    PDBbind223aa, >3RXB_1|Chain... at 100%
3rxdRCSB PDB    PDBbind223aa, >3RXD_1|Chain... at 100%
3rxeRCSB PDB    PDBbind223aa, >3RXE_1|Chain... at 100%
3rxfRCSB PDB    PDBbind223aa, >3RXF_1|Chain... at 100%
3rxgRCSB PDB    PDBbind223aa, >3RXG_1|Chain... at 100%
3rxhRCSB PDB    PDBbind223aa, >3RXH_1|Chain... at 100%
3rxiRCSB PDB    PDBbind223aa, >3RXI_1|Chain... at 100%
3rxjRCSB PDB    PDBbind223aa, >3RXJ_1|Chain... at 100%
3rxkRCSB PDB    PDBbind223aa, >3RXK_1|Chain... at 100%
3rxlRCSB PDB    PDBbind223aa, >3RXL_1|Chain... at 100%
3rxmRCSB PDB    PDBbind223aa, >3RXM_1|Chain... at 100%
3rxoRCSB PDB    PDBbind223aa, >3RXO_1|Chain... at 100%
3rxpRCSB PDB    PDBbind223aa, >3RXP_1|Chain... at 100%
4ab8RCSB PDB    PDBbind223aa, >4AB8_1|Chain... at 100%
4ab9RCSB PDB    PDBbind223aa, >4AB9_1|Chain... at 100%
4abaRCSB PDB    PDBbind223aa, >4ABA_1|Chain... at 100%
4abbRCSB PDB    PDBbind223aa, >4ABB_1|Chain... at 100%
4abdRCSB PDB    PDBbind223aa, >4ABD_1|Chain... at 100%
4abeRCSB PDB    PDBbind223aa, >4ABE_1|Chain... at 100%
4abfRCSB PDB    PDBbind223aa, >4ABF_1|Chain... at 100%
4abgRCSB PDB    PDBbind223aa, >4ABG_1|Chain... at 100%
4abhRCSB PDB    PDBbind223aa, >4ABH_1|Chain... at 100%
5eg4RCSB PDB    PDBbind223aa, >5EG4_1|Chain... at 100%
5lgoRCSB PDB    PDBbind223aa, >5LGO_1|Chain... at 100%
5lh4RCSB PDB    PDBbind223aa, >5LH4_1|Chain... at 100%
5lh8RCSB PDB    PDBbind223aa, >5LH8_1|Chain... at 100%
5mn1RCSB PDB    PDBbind223aa, >5MN1_1|Chain... at 100%
5mnbRCSB PDB    PDBbind223aa, >5MNB_1|Chain... at 100%
5mncRCSB PDB    PDBbind223aa, >5MNC_1|Chain... at 100%
5mngRCSB PDB    PDBbind223aa, >5MNG_1|Chain... at 100%
5mnhRCSB PDB    PDBbind223aa, >5MNH_1|Chain... at 100%
5mnnRCSB PDB    PDBbind223aa, >5MNN_1|Chain... at 100%
5mnoRCSB PDB    PDBbind223aa, >5MNO_1|Chain... at 100%
5mnxRCSB PDB    PDBbind223aa, >5MNX_1|Chain... at 100%
5mnyRCSB PDB    PDBbind223aa, >5MNY_1|Chain... at 100%
5mo0RCSB PDB    PDBbind223aa, >5MO0_1|Chain... at 100%
5mo2RCSB PDB    PDBbind223aa, >5MO2_1|Chain... at 100%
5monRCSB PDB    PDBbind223aa, >5MON_1|Chain... at 100%
5mooRCSB PDB    PDBbind223aa, >5MOO_1|Chain... at 100%
5moqRCSB PDB    PDBbind223aa, >5MOQ_1|Chain... at 100%
5mosRCSB PDB    PDBbind223aa, >5MOS_1|Chain... at 100%
6bfpRCSB PDB    PDBbind223aa, >6BFP_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a07RCSB PDB    PDBbind4-mer
1a08RCSB PDB    PDBbind4-mer
1a09RCSB PDB    PDBbind4-mer
1a1eRCSB PDB    PDBbind4-mer
1a2cRCSB PDB    PDBbind4-mer
1e5jRCSB PDB    PDBbind4-mer
1ez9RCSB PDB    PDBbind4-mer
1gvkRCSB PDB    PDBbind4-mer
1ibcRCSB PDB    PDBbind4-mer
1is0RCSB PDB    PDBbind4-mer
1jyqRCSB PDB    PDBbind4-mer
1lkkRCSB PDB    PDBbind4-mer
1lklRCSB PDB    PDBbind4-mer
1m21RCSB PDB    PDBbind4-mer
1n51RCSB PDB    PDBbind4-mer
1popRCSB PDB    PDBbind4-mer
1ppiRCSB PDB    PDBbind4-mer
1s3kRCSB PDB    PDBbind4-mer
1tl9RCSB PDB    PDBbind4-mer
1uktRCSB PDB    PDBbind4-mer
1y3pRCSB PDB    PDBbind4-mer
2i3hRCSB PDB    PDBbind4-mer
2n7bRCSB PDB    PDBbind4-mer
2psxRCSB PDB    PDBbind4-mer
2vslRCSB PDB    PDBbind4-mer
2x6wRCSB PDB    PDBbind4-mer
2x6yRCSB PDB    PDBbind4-mer
2x85RCSB PDB    PDBbind4-mer
2xe4RCSB PDB    PDBbind4-mer
3cheRCSB PDB    PDBbind4-mer
3d3xRCSB PDB    PDBbind4-mer
3jzgRCSB PDB    PDBbind4-mer
3k0kRCSB PDB    PDBbind4-mer
3k16RCSB PDB    PDBbind4-mer
3mp6RCSB PDB    PDBbind4-mer
3niiRCSB PDB    PDBbind4-mer
3nijRCSB PDB    PDBbind4-mer
3nikRCSB PDB    PDBbind4-mer
3nilRCSB PDB    PDBbind4-mer
3nimRCSB PDB    PDBbind4-mer
3ny3RCSB PDB    PDBbind4-mer
3qmkRCSB PDB    PDBbind4-mer
3t1nRCSB PDB    PDBbind4-mer
3t4pRCSB PDB    PDBbind4-mer
3u3zRCSB PDB    PDBbind4-mer
3uecRCSB PDB    PDBbind4-mer
3ut5RCSB PDB    PDBbind4-mer
3uw4RCSB PDB    PDBbind4-mer
3uw5RCSB PDB    PDBbind4-mer
3zybRCSB PDB    PDBbind4-mer
4b9hRCSB PDB    PDBbind4-mer
4c16RCSB PDB    PDBbind4-mer
4c1tRCSB PDB    PDBbind4-mer
4dxgRCSB PDB    PDBbind4-mer
4fgtRCSB PDB    PDBbind4-mer
4fzcRCSB PDB    PDBbind4-mer
4fzgRCSB PDB    PDBbind4-mer
4gk7RCSB PDB    PDBbind4-mer
4hp0RCSB PDB    PDBbind4-mer
4i67RCSB PDB    PDBbind4-mer
4imqRCSB PDB    PDBbind4-mer
4imzRCSB PDB    PDBbind4-mer
4in9RCSB PDB    PDBbind4-mer
4inhRCSB PDB    PDBbind4-mer
4j44RCSB PDB    PDBbind4-mer
4j45RCSB PDB    PDBbind4-mer
4j46RCSB PDB    PDBbind4-mer
4j47RCSB PDB    PDBbind4-mer
4j48RCSB PDB    PDBbind4-mer
4k63RCSB PDB    PDBbind4-mer
4k66RCSB PDB    PDBbind4-mer
4komRCSB PDB    PDBbind4-mer
4kx8RCSB PDB    PDBbind4-mer
4lkdRCSB PDB    PDBbind4-mer
4lkeRCSB PDB    PDBbind4-mer
4lkfRCSB PDB    PDBbind4-mer
4mbpRCSB PDB    PDBbind4-mer
4q4iRCSB PDB    PDBbind4-mer
4trwRCSB PDB    PDBbind4-mer
4trzRCSB PDB    PDBbind4-mer
4x0zRCSB PDB    PDBbind4-mer
4x14RCSB PDB    PDBbind4-mer
4z7nRCSB PDB    PDBbind4-mer
4z7oRCSB PDB    PDBbind4-mer
5ab1RCSB PDB    PDBbind4-mer
5ajcRCSB PDB    PDBbind4-mer
5azfRCSB PDB    PDBbind4-mer
5btvRCSB PDB    PDBbind4-mer
5e6oRCSB PDB    PDBbind4-mer
5efjRCSB PDB    PDBbind4-mer
5f2uRCSB PDB    PDBbind4-mer
5f90RCSB PDB    PDBbind4-mer
5izjRCSB PDB    PDBbind4-mer
5jopRCSB PDB    PDBbind4-mer
5jy0RCSB PDB    PDBbind4-mer
5tdbRCSB PDB    PDBbind4-mer
5vi6RCSB PDB    PDBbind4-mer
5wxpRCSB PDB    PDBbind4-mer
5yzdRCSB PDB    PDBbind4-mer
5zmqRCSB PDB    PDBbind4-mer
5zmsRCSB PDB    PDBbind4-mer
6cctRCSB PDB    PDBbind4-mer
6ccuRCSB PDB    PDBbind4-mer
6cd8RCSB PDB    PDBbind4-mer
6cd9RCSB PDB    PDBbind4-mer
6cdcRCSB PDB    PDBbind4-mer
6m8wRCSB PDB    PDBbind4-mer
6m8yRCSB PDB    PDBbind4-mer
6m9fRCSB PDB    PDBbind4-mer
6msyRCSB PDB    PDBbind4-mer
6mu3RCSB PDB    PDBbind4-mer
6pu3RCSB PDB    PDBbind4-mer
6prgRCSB PDB    PDBbind4-mer
6n3fRCSB PDB    PDBbind4-mer
6jjnRCSB PDB    PDBbind4-mer
6jjmRCSB PDB    PDBbind4-mer
6hopRCSB PDB    PDBbind4-mer
Entry Information
PDB ID1aq7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametrypsin
Ligand Name4-mer
EC.Number E.C.3.4.21.4
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.9uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc.v120;pp.595
Ligand Properties
Formula C29H47N6O9S
Molecular Weight 655.783
Exact Mass 655.313
No. of atoms 92
No. of bonds 94
Polar Surface Area 256.96
LOGP Value 2.73      (Computed with XLOGP3)
1.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P00760  
Entrez Gene IDNCBI Entrez Gene ID: 615026  780933  
ASDInformation of known allosteric effects of PDB entries
 
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