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5FZ1

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 2,4-dichloro-N-pyridin-3-ylbenzamide (E48115b) (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 Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1756
ChainResidue
AALA599
AVAL600
AASN601
ATYR488

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1757
ChainResidue
AGLN88
ATYR425
ASER495
ACYS497
AEDO1772
AW771773

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1758
ChainResidue
AILE500
ATRP504
AGLU531
AARG584
AHIS617

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1759
ChainResidue
AHIS499
AGLU501
AHIS587
AW771773
AHOH2078
AHOH2083

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 1760
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2109

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AHOH2117

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
APHE83
AGLY426
AASP428
ALEU487
AVAL489

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
AARG666
ATYR734
AHOH2131

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AARG612
AASP630
AMET658
AGLU662
ALEU665

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AVAL568
AHOH2162

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AVAL693
AGLY711
ALEU713

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
AGLY524
AHOH2163

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
AARG670
AVAL674
AILE675
ALEU732
AHOH2130
AHOH2134

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

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1770
ChainResidue
ATYR425
ATYR488
ASER494
ASER495
AASN591
AW771773
AHOH2095

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1771
ChainResidue
AMET534
ALEU541
ALEU552
AHOH2076

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1772
ChainResidue
AARG98
ACYS497
AHIS499
ADMS1757
AW771773
AHOH2065

site_idCC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE W77 A 1773
ChainResidue
AEDO1772
AHOH2078
AHOH2088
AHOH2089
AARG86
AARG98
ATYR425
ATYR488
ASER495
APHE496
AHIS499
ATRP519
AHIS587
ADMS1757
AMN1759
AEDO1770

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

218853

PDB entries from 2024-04-24

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