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5J42

Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
B0003824molecular_functioncatalytic activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
Detailsbinding site for residue 6FV A 401
ChainResidue
ATHR240
AHOH582
BILE317
BPRO318
B6FV401
BTLA405
AARG241
AARG276
ACYS321
ALEU323
ATLA402
AHOH528
AHOH539
AHOH541

site_idAC2
Number of Residues11
Detailsbinding site for residue TLA A 402
ChainResidue
ATHR240
AARG241
AGLY242
A6FV401
AHOH521
AHOH534
AHOH716
AHOH720
BALA319
BALA320
BHOH591

site_idAC3
Number of Residues15
Detailsbinding site for residue TLA A 403
ChainResidue
AASP132
ALEU134
AGLU162
AARG216
AHIS236
ASER239
AMN406
AHOH528
AHOH530
AHOH536
AHOH601
AHOH616
AHOH625
AHOH642
BARG316

site_idAC4
Number of Residues10
Detailsbinding site for residue GOL A 404
ChainResidue
ALYS252
ALEU255
AGLY256
AGLN259
AGLY285
APRO287
AHOH501
AHOH502
AHOH503
AHOH666

site_idAC5
Number of Residues8
Detailsbinding site for residue EDO A 405
ChainResidue
AARG276
AASP277
ALEU323
AARG327
AHOH506
AHOH533
AHOH604
AHOH615

site_idAC6
Number of Residues5
Detailsbinding site for residue MN A 406
ChainResidue
AASP132
AGLU162
ATLA403
AHOH530
AHOH613

site_idAC7
Number of Residues14
Detailsbinding site for residue 6FV B 401
ChainResidue
AILE317
APRO318
A6FV401
BTHR240
BARG241
BARG276
BARG278
BTRP307
BCYS321
BTLA402
BTLA405
BHOH510
BHOH533
BHOH583

site_idAC8
Number of Residues13
Detailsbinding site for residue TLA B 402
ChainResidue
APRO318
AALA319
AALA320
AHOH566
BTHR240
BARG241
BGLY242
B6FV401
BHOH505
BHOH506
BHOH512
BHOH632
BHOH725

site_idAC9
Number of Residues15
Detailsbinding site for residue TLA B 403
ChainResidue
BHOH547
BHOH559
BHOH594
BHOH606
BHOH647
BHOH659
AARG316
BASP132
BLEU134
BGLU162
BARG216
BHIS236
BSER239
BMN408
BHOH510

site_idAD1
Number of Residues10
Detailsbinding site for residue TLA B 404
ChainResidue
BARG276
BASP277
BTYR305
BLEU323
BHOH504
BHOH517
BHOH602
BHOH617
BHOH640
BHOH644

site_idAD2
Number of Residues10
Detailsbinding site for residue TLA B 405
ChainResidue
AARG241
AALA319
A6FV401
BARG241
BALA319
B6FV401
BHOH501
BHOH512
BHOH632
BHOH639

site_idAD3
Number of Residues7
Detailsbinding site for residue GOL B 406
ChainResidue
BPHE209
BPRO210
BASN211
BGLU246
BARG249
BTHR253
BHOH624

site_idAD4
Number of Residues7
Detailsbinding site for residue EDO B 407
ChainResidue
BLYS301
BGLN304
BTYR305
BASP308
BLEU344
BTRP360
BHOH609

site_idAD5
Number of Residues6
Detailsbinding site for residue MN B 408
ChainResidue
AARG316
BASP132
BGLU162
BTLA403
BHOH553
BHOH647

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:23104055, ECO:0000305|PubMed:27060144
ChainResidueDetails
AASP272
BASP272

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:23104055, ECO:0000269|PubMed:27099339, ECO:0007744|PDB:4GYZ, ECO:0007744|PDB:4GZ2, ECO:0007744|PDB:5J42
ChainResidueDetails
AASP132
BASP132

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:23104055, ECO:0000269|PubMed:24808172, ECO:0000269|PubMed:27099339, ECO:0007744|PDB:4GYZ, ECO:0007744|PDB:4GZ1, ECO:0007744|PDB:4GZ2, ECO:0007744|PDB:4PUQ, ECO:0007744|PDB:5HT2, ECO:0007744|PDB:5INP, ECO:0007744|PDB:5J42
ChainResidueDetails
AGLU162
BGLU162

site_idSWS_FT_FI4
Number of Residues2
DetailsSITE: Interaction with 5' end of substrate DNA => ECO:0000269|PubMed:23104055, ECO:0000269|PubMed:27060144
ChainResidueDetails
ATYR188
BTYR188

site_idSWS_FT_FI5
Number of Residues4
DetailsSITE: Interaction with 5' end of substrate DNA => ECO:0000269|PubMed:23104055, ECO:0000269|PubMed:24808172, ECO:0000269|PubMed:27060144
ChainResidueDetails
ATRP307
AHIS359
BTRP307
BHIS359

site_idSWS_FT_FI6
Number of Residues2
DetailsSITE: Interaction with 5' end of substrate DNA => ECO:0000269|PubMed:23104055
ChainResidueDetails
APHE325
BPHE325

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PDB entries from 2024-07-24

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