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5FZ3

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3,6-Dihydroxybenzonorbornane (N08776b) (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 DMS A 1756
ChainResidue
ASER507
AALA599
AVAL600
AASN601
ATYR488

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1757
ChainResidue
AGLN96
ATHR97
ATYR425
ASER495
ACYS497
AHOH2081

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1758
ChainResidue
ATRP504
AGLU531
AHIS617
ALEU621

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1759
ChainResidue
AGLU631
AGLU683
AARG735
ATYR736

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1760
ChainResidue
APHE496
AASN509
ALYS517
AEDO1770
AHOH2083
AHOH2100

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1761
ChainResidue
AHIS499
AGLU501
AHIS587
AHOH2082
AHOH2083
AHOH2088

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 7SI A 1762
ChainResidue
APRO30
AMET562
AGLU565
AVAL566
AVAL568
ATYR569

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
APHE83
AGLY426
AALA427
AASP428
ALEU487
AVAL489

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AARG666
ALEU732
ATYR734
ATHR737
AHOH2179

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AARG612
AASP630
AMET658
AGLU662

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
AGLY524
AARG584
AHOH2181

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
AARG670
AVAL674
AILE675
AHOH2065
AHOH2142

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AGLY711
ALEU713

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1769
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AHOH2130

site_idBC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1770
ChainResidue
ATYR425
AGLY426
ATYR488
AVAL489
ASER494
ASER495
AASN591
ADMS1760
AHOH2100

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 1771
ChainResidue
ALEU90
AASN91
ALEU413
ATHR416
AGLU419
AHOH2031

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 1772
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2123

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 2024-07-10

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