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5FYY

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3-pyridin-3-ylaniline (N05798a) (ligand modelled based on PANDDA event map)

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 ZN A 1755
ChainResidue
ACYS706
ACYS708
ACYS723
ACYS725

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1756
ChainResidue
AASN91
ALEU413
ATHR416
AGLU419
ALEU90

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1757
ChainResidue
AHIS499
AGLU501
AHIS587
AN6Y1758
AHOH2119
AHOH2124

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE N6Y A 1758
ChainResidue
AVAL99
ATYR488
APHE496
AHIS499
AASN509
ATRP519
AHIS587
AMN1757
AEDO1770
AEDO1771
ADMS1777
AHOH2124
AHOH2130
AHOH2131

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1759
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AHOH2172

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1760
ChainResidue
APHE83
AGLY426
AALA427
ALEU487
AVAL489
AHOH2095

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
AARG666
ATYR734
ATHR737
AHOH2229

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
AARG612
AASP630
AMET658
AGLU662
ALEU665

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
APRO30
AVAL568
ATYR569

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AVAL693
AGLY711
ALEU713

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AGLY524
ATYR525
AARG584
AHOH2233

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
AVAL674
AILE675
ALEU732
AHOH2090
AHOH2189

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
AHIS564
AGLU565

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
AGLU409
ATYR728
AHOH2003

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1769
ChainResidue
AALA388
AHOH2067
AHOH2072
AHOH2082

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1770
ChainResidue
AARG98
ACYS497
AHIS499
AN6Y1758
ADMS1777

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1771
ChainResidue
ATYR488
ASER494
ALYS517
AASN591
AN6Y1758
AHOH2115

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1772
ChainResidue
AALA95
AGLN96
ATHR97
AHOH2052
AHOH2054

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1773
ChainResidue
ALEU716
AHIS717
AVAL719
AHOH2221
AHOH2235
ATHR668

site_idCC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1774
ChainResidue
ATRP39
AGLU453

site_idCC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1775
ChainResidue
AGLN652
ALYS653
AALA656

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1776
ChainResidue
ATRP486
ATYR488
ASER507
AVAL600
AASN601
AHOH2130

site_idCC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 1777
ChainResidue
ATHR97
ATYR425
ASER495
APHE496
ACYS497
AN6Y1758
AEDO1770

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1778
ChainResidue
AILE500
ATRP504
AHIS617
ALEU621
AARG623
AHOH2123

site_idCC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1779
ChainResidue
ACYS634
ALYS635
ATYR736
AHOH2174

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 1780
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2162
AHOH2165

site_idDC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1781
ChainResidue
AHOH2211

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

222415

PDB entries from 2024-07-10

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