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5FZL

Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)

Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1754
ChainResidue
ACYS692
ACYS695
ACYS715
AHIS718

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1755
ChainResidue
ATRP486
ATYR488
ASER507
AHOH2033

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1756
ChainResidue
AGLU501
AHIS587
AUOI1767
AHOH2033
AHOH2036
AHIS499

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1757
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AEDO1760
AHOH2054

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1758
ChainResidue
APHE83
AGLY426
AASP428
APHE434
ALEU487
AVAL489

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1759
ChainResidue
AARG666
ALEU732

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1760
ChainResidue
AARG612
AASP630
AMET658
AGLU662
ALEU665
AEDO1757

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
APRO30
AVAL568

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AVAL693
AGLY711
ALEU713

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
AGLY524
ATYR525

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AVAL674
AILE675
AHOH2023
AHOH2057

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AHIS564
AGLU565

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
ACYS497
AHIS499
AHOH2030

site_idBC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE UOI A 1767
ChainResidue
ATYR425
ATYR488
ASER494
ASER495
APHE496
AHIS499
ALYS517
AHIS587
AASN591
AMN1756
AHOH2033

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1768
ChainResidue
ALEU90
AASN91
ALEU413
ATHR416
AGLU419

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 1769
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2049

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues52
DetailsZN_FING: C5HC2 => ECO:0000269|PubMed:26741168, ECO:0000269|PubMed:27214403, ECO:0000269|PubMed:28262558
ChainResidueDetails
ACYS692-MET744

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29375
ChainResidueDetails
ATYR425
ASER507
AASN509
ALYS517

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000305|PubMed:26741168, ECO:0000305|PubMed:27214403, ECO:0000305|PubMed:28262558
ChainResidueDetails
AHIS499
AGLU501
AHIS587

site_idSWS_FT_FI4
Number of Residues2
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:25755297, ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS769

227561

PDB entries from 2024-11-20

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