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5FYZ

Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (N10063a)

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 Residues11
DetailsBINDING SITE FOR RESIDUE NYK A 1756
ChainResidue
APHE496
AHIS499
ALYS517
AHIS587
AMN1757
ADMS1770
AHOH2180
AHOH2187
AHOH2193
AHOH2203
ATYR488

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1757
ChainResidue
AHIS499
AGLU501
AHIS587
ANYK1756
AHOH2180
AHOH2187

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 1758
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2245
AHOH2250

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1759
ChainResidue
AASP630
ACYS699
APHE700
AMET701
ASER702
AHOH2262

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1760
ChainResidue
APHE83
AGLY426
AALA427
ALEU487
ATYR488
AVAL489
AHOH2128

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
AARG666
ATHR737
AHOH2340

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
AARG612
AASP630
AMET658
AGLU662
ALEU665
AHOH2239

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
APRO30
AVAL568

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AVAL693
AGLY711
ALEU712
ALEU713
AHOH2342

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AGLY524
AARG584
AHOH2206
AHOH2343

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
AARG670
AVAL674
AILE675
AHOH2121
AHOH2281

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

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
ALYS80
ALYS720
ACYS723
AHOH2325

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1769
ChainResidue
ACYS634
ALYS635
AGLU683
AARG735
ATYR736

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DMS A 1770
ChainResidue
AGLN88
AGLN96
ATHR97
ATYR425
ASER495
APHE496
ACYS497
ANYK1756

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1771
ChainResidue
ATRP486
ATYR488
ASER507
AVAL600
AASN601
AHOH2193

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1772
ChainResidue
AHIS617
ALEU621
AARG623
AHOH2186
AILE500
ATRP504

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA A 1773
ChainResidue
ALEU90
AASN91
ALEU413
ATHR416
AGLU419
AHOH2062
AHOH2064

site_idCC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1774
ChainResidue
AHOH2344

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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