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5FZ6

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (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 ZN A 1755
ChainResidue
ACYS706
ACYS708
ACYS723
ACYS725

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1756
ChainResidue
AVAL600
AASN601
AHOH2091
ATYR488

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1757
ChainResidue
ATHR97
ATYR425
ASER495
ACYS497
AHOH2090

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1758
ChainResidue
AGLU631
ALYS635
ASER638
AGLU683
ATYR736

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1759
ChainResidue
AHIS499
AGLU501
AHIS587
AMN11771
AHOH2091
AHOH2096

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE EPE A 1760
ChainResidue
AILE500
ATRP504
AGLU531
AMET534
ALEU541
ALEU552
ATYR586
AHIS617
ATYR618
ALEU621
AARG623
AHOH2088
AHOH2095
AHOH2119

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AHOH2143

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
AGLY426
AALA427
AASP428
APHE434
ALEU487
AVAL489

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
AARG666

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AARG612
AASP630
AMET658
AGLU662
AHOH2133

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
APRO30
AVAL568

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AGLY711
ALEU713

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
AGLY524
ATYR525
AARG584
ALEU610
AHOH2114
AHOH2196

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
AARG670
AVAL674
AILE675
AHOH2077
AHOH2158

site_idBC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1769
ChainResidue
AHIS564

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1770
ChainResidue
ATYR425
ASER494
ASER495
AASN591
AHOH2110
AHOH2197

site_idBC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MN1 A 1771
ChainResidue
ATYR488
APHE496
AHIS499
ALYS517
ATRP519
AHIS587
AMN1759
AHOH2091
AHOH2102
AHOH2110
AHOH2197

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1772
ChainResidue
ALEU413
ATHR416
AGLU419
ALEU90
AASN91

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 1773
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2131
AHOH2136
AHOH2185

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

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PDB entries from 2024-07-17

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