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5FYT

Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (N09996a)

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 MN A 1756
ChainResidue
AGLU501
AHIS587
AWQS1757
AHOH2196
AHOH2201
AHIS499

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE WQS A 1757
ChainResidue
ATYR488
APHE496
AHIS499
AASN509
ALYS517
ATRP519
AHIS587
AMN1756
ADMS1776
AHOH2090
AHOH2093
AHOH2095
AHOH2196
AHOH2201
AHOH2216

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1758
ChainResidue
APHE83
AGLY426
AALA427
ALEU487
ATYR488
AVAL489
AHOH2154

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1759
ChainResidue
AARG666
ALEU732
ATYR734
AHOH2289
AHOH2348

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1760
ChainResidue
AARG612
AASP630
AMET658
AGLU662

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1761
ChainResidue
APRO30
AVAL568

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1762
ChainResidue
AASP688
AGLU689
AARG690
AGLN691
AVAL693
AGLY711
ALEU712
ALEU713
AHOH2350

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1763
ChainResidue
AGLY524
ATYR525
AARG584
ALEU610
AHOH2218
AHOH2351
AHOH2352

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1764
ChainResidue
AARG670
AVAL674
AILE675
AHOH2145
AHOH2288

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1765
ChainResidue
AASP387
AALA388
AVAL398
AHOH2107
AHOH2114

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1766
ChainResidue
ALEU405
ALYS408
AGLU409
AASP676
AHOH2141

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1767
ChainResidue
AGLU678
ALYS731
AARG733
AHOH2354

site_idBC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1780
ChainResidue
AHOH2360

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1768
ChainResidue
ALEU27
APRO28
APRO29
AMET562
ALEU750

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1769
ChainResidue
AGLU662
ALEU665
AMET701
ASER702
ACYS715
ALEU716
AHOH2334
AHOH2355

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1770
ChainResidue
ASER724
ALYS80
AGLU721
ACYS723

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1771
ChainResidue
ATRP39
AGLU453
AHOH2047

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1772
ChainResidue
AARG679
AARG679
AHOH2306

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1773
ChainResidue
ATRP504
AHIS617
ATYR618
AHOH2227
AHOH2356

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1774
ChainResidue
ALEU716
AHIS717
AVAL719
AHOH2332
AHOH2358

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1775
ChainResidue
AGLU631
ALYS635
AGLU683
ATYR736

site_idCC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DMS A 1776
ChainResidue
AGLN88
ATHR97
ATYR425
ASER495
APHE496
ACYS497
AWQS1757
AHOH2193

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 1777
ChainResidue
ATRP486
ATYR488
AGLU501
AVAL600
AASN601
AHOH2196

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 1778
ChainResidue
AHIS622
ALYS694
AHIS718
AHOH2255
AHOH2259

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1779
ChainResidue
ALEU90
AASN91
ALEU413
ATHR416
AGLU419

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

223532

PDB entries from 2024-08-07

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