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6WXC

Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil

Functional Information from PDB Data
site_idAC1
Number of Residues10
Detailsbinding site for residue CMU A 401
ChainResidue
AGLN245
AHOH680
AHIS250
ALYS290
AVAL292
ACYS293
ASER294
ATYR343
ALYS345
APO4402

site_idAC2
Number of Residues8
Detailsbinding site for residue PO4 A 402
ChainResidue
AHIS235
AGLY247
AGLY248
AHIS250
ALYS290
ATHR341
ACMU401
AHOH538

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 403
ChainResidue
APHE44
AGLU45
AHOH505
AHOH507
AHOH561

site_idAC4
Number of Residues9
Detailsbinding site for residue EDO A 404
ChainResidue
AGLU4
APRO24
AVAL25
BASN0
BASN53
BGLU57
BCYS103
BSER104
BMET105

site_idAC5
Number of Residues9
Detailsbinding site for residue EDO A 405
ChainResidue
AASN0
AASN53
AGLU57
ACYS103
ASER104
AMET105
BGLU4
BPRO24
BVAL25

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 406
ChainResidue
AVAL39
AVAL78
AASP79
AALA95
AHIS96
AILE97
AHOH591

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 407
ChainResidue
AGLY170
AGLU171
AVAL173

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 408
ChainResidue
AASN75
ALEU76
ALYS181
ATYR325
AHOH506

site_idAC9
Number of Residues3
Detailsbinding site for residue FMT A 409
ChainResidue
AHIS243
ASER244
AHOH728

site_idAD1
Number of Residues7
Detailsbinding site for residue EDO A 410
ChainResidue
ALEU312
ASER313
AVAL314
AVAL315
ALYS335
AASP336
AGLY337

site_idAD2
Number of Residues10
Detailsbinding site for residue CMU B 401
ChainResidue
BGLN245
BHIS250
BLYS290
BVAL292
BCYS293
BSER294
BTYR343
BLYS345
BPO4402
BHOH684

site_idAD3
Number of Residues8
Detailsbinding site for residue PO4 B 402
ChainResidue
BGLY247
BGLY248
BHIS250
BLYS290
BTHR341
BCMU401
BHOH556
BHOH576

site_idAD4
Number of Residues10
Detailsbinding site for residue EDO B 403
ChainResidue
ALYS320
AVAL321
ATHR322
AGLU327
BSER148
BVAL149
BLYS150
BGLY151
BLEU152
BHOH638

site_idAD5
Number of Residues3
Detailsbinding site for residue FMT B 404
ChainResidue
BVAL156
BGLU192
BTHR193

site_idAD6
Number of Residues3
Detailsbinding site for residue FMT B 405
ChainResidue
BHOH582
BTHR145
BGLY147

site_idAD7
Number of Residues4
Detailsbinding site for residue FMT B 406
ChainResidue
APRO191
AGLU327
BSER148
BHOH569

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO B 407
ChainResidue
BPHE44
BGLU45
BLYS47
BHOH654

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor; for uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093
ChainResidueDetails
AHIS235
BHIS235

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor; for uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093
ChainResidueDetails
AHIS250
BHIS250

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: For uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779
ChainResidueDetails
ALYS290
BLYS290

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093
ChainResidueDetails
ALYS290
BLYS290

site_idSWS_FT_FI5
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:33564093
ChainResidueDetails
ATHR341
BTHR341

site_idSWS_FT_FI6
Number of Residues2
DetailsSITE: Transition state stabilizer => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093
ChainResidueDetails
ALYS290
BLYS290

site_idSWS_FT_FI7
Number of Residues2
DetailsSITE: Uracil recognition site => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093
ChainResidueDetails
ASER294
BSER294

site_idSWS_FT_FI8
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN347
BGLN347

224201

PDB entries from 2024-08-28

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