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5FZA

Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (N10072a) (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 Residues6
DetailsBINDING SITE FOR RESIDUE CL A 1756
ChainResidue
AASN91
ALEU413
ATHR416
AGLU419
AHOH2061
ALEU90

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1757
ChainResidue
AHIS499
AGLU501
AHIS587
AHOH2130
AHOH2131
AHOH2138

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 80Q A 1758
ChainResidue
AGLU662
ALYS663
AARG666
AGLU667
AMET701
ATYR736
ATHR737
ALEU738
ALEU741
AHOH2276

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1759
ChainResidue
APHE83
AGLY426
AALA427
AASP428
APHE434
ALEU487
ATYR488
AVAL489
AHOH2108

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1760
ChainResidue
AARG666
ASER677
ATYR734
AHOH2278
AHOH2279

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
AARG612
AASP630
AMET658
AGLU662
ALEU665

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
APRO30
AVAL568
ATYR569
AHOH2280

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AGLY711
ALEU713

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AGLY524
ATYR525
AHOH2282

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AARG670
AVAL674
AILE675
AHOH2104
AHOH2217

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
ATRP504
AGLU531
AARG584
AHIS617
ATYR618
AARG623
AHOH2136
AHOH2193

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
ATYR425
ASER494
ASER495
AASN591
ADMS1769
ADMS1770
AHOH2105
AHOH2155

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
AHOH2250
AHOH2283

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 1769
ChainResidue
ATYR488
APHE496
AASN509
ALYS517
ATRP519
AEDO1767
AHOH2155

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 1770
ChainResidue
AGLN88
AGLN96
ATYR425
ASER495
APHE496
ACYS497
AEDO1767

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1771
ChainResidue
ACYS634
ALYS635
AGLU683
APHE700
AARG735
ATYR736

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DMS A 1772
ChainResidue
ATRP486
ATYR488
ASER507
AALA599
AVAL600
AASN601
AHOH2124
AHOH2142

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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