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6XVW

Catalytic domain of human PARP-1 in complex with the inhibitor MC2050

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue NI A 1101
ChainResidue
AHIS934
BHIS937
BHOH1251
BHOH1254
BHOH1269
BHOH1306

site_idAC2
Number of Residues6
Detailsbinding site for residue NI A 1102
ChainResidue
AHOH1341
BHIS934
BHOH1237
AHIS937
AHOH1261
AHOH1264

site_idAC3
Number of Residues7
Detailsbinding site for residue NI A 1103
ChainResidue
AHIS909
AHOH1322
AHOH1339
AHOH1350
BASP981
BHOH1202
BHOH1326

site_idAC4
Number of Residues6
Detailsbinding site for residue NI A 1104
ChainResidue
AHIS822
AHIS826
AASP830
AHOH1222
AHOH1317
AHOH1356

site_idAC5
Number of Residues1
Detailsbinding site for residue EDO A 1105
ChainResidue
APRO668

site_idAC6
Number of Residues2
Detailsbinding site for residue EDO A 1106
ChainResidue
ALYS674
AASN793

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 1107
ChainResidue
ATYR737
APRO741
AHIS742

site_idAC8
Number of Residues1
Detailsbinding site for residue EDO A 1108
ChainResidue
AHIS855

site_idAC9
Number of Residues1
Detailsbinding site for residue EDO A 1109
ChainResidue
ALEU665

site_idAD1
Number of Residues2
Detailsbinding site for residue EDO A 1110
ChainResidue
ASER711
AGLU883

site_idAD2
Number of Residues12
Detailsbinding site for residue O3H A 1111
ChainResidue
AASP766
AASP770
AHIS862
AGLY863
AARG878
AILE879
ATYR896
ASER904
ATYR907
AGLU988
AHOH1228
AHOH1313

site_idAD3
Number of Residues7
Detailsbinding site for residue NI B 1101
ChainResidue
AHOH1207
AHOH1298
BHIS909
BHOH1268
BHOH1289
BHOH1299
BHOH1320

site_idAD4
Number of Residues6
Detailsbinding site for residue NI B 1102
ChainResidue
BHIS822
BHIS826
BASP830
BHOH1217
BHOH1222
BHOH1305

site_idAD5
Number of Residues3
Detailsbinding site for residue EDO B 1104
ChainResidue
BGLU688
BASP807
BHOH1271

site_idAD6
Number of Residues13
Detailsbinding site for residue O3H B 1105
ChainResidue
BASP766
BASN767
BLEU769
BASP770
BHIS862
BGLY863
BASN868
BARG878
BTYR896
BSER904
BTYR907
BGLU988
BHOH1297

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851
ChainResidueDetails
AGLU988
BGLU988

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5
ChainResidueDetails
AHIS862
AGLY871
AARG878
ASER904
BHIS862
BGLY871
BARG878
BSER904

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER782
BSER782

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER786
BSER786

site_idSWS_FT_FI5
Number of Residues4
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS748
BLYS748

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PDB entries from 2024-07-24

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