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4MUN

Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0004592molecular_functionpantoate-beta-alanine ligase activity
A0015940biological_processpantothenate biosynthetic process
B0004592molecular_functionpantoate-beta-alanine ligase activity
B0015940biological_processpantothenate biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 401
ChainResidue
ATHR218
BHIS222
BTHR225

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 402
ChainResidue
AASN176
AHOH617
AHOH734

site_idAC3
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 2DZ A 403
ChainResidue
AHIS44
AGLY46
AHIS47
AGLN72
ATYR82
AHIS135
ALYS160
AASP161
AGLN164
APRO185
ATHR186
AVAL187
AMET195
ASER196
ASER197
A2DZ405
AGOL408
AHOH574
AHOH652
AHOH718
AHOH720
AHOH731
APRO38
ATHR39
AMET40

site_idAC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 2DZ A 404
ChainResidue
AMET71
ALEU114
ATHR117
APRO133
ATHR134
AALA137
AGLY138
ATHR141
AHOH704
AHOH740
BILE3
BPRO4
BPHE6
BPRO8
BLEU27
BTHR30
BARG32
BGLN119

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 2DZ A 405
ChainResidue
AASP78
AALA81
ATYR82
APRO83
AGLU128
APRO131
AARG132
AHIS135
ASER197
AARG198
ATYR201
AARG278
A2DZ403
AHOH515
AHOH614

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
AMET109
ATYR110
AGLY113
AARG115
ATHR116
ALYS145
AHOH738
BASP174

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 407
ChainResidue
ALEU114
AARG115
ATHR117
BGLN119
BPRO120
BGLY121

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 408
ChainResidue
APRO38
AMET40
AGLN72
AVAL143
AGLN164
A2DZ403
AHOH585
AHOH716

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 409
ChainResidue
APRO111
AASP112

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EOH A 410
ChainResidue
AALA205
AGLN206
AALA209
APRO243
AGLY244
AHOH619
AHOH748

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 411
ChainResidue
AVAL179
AHOH537
AHOH709
BGLN148
BARG151
ALEU147
AGLN148
AARG151
AASP178

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 412
ChainResidue
AALA21
ASER24
AARG25
AGLN148
AILE149
AVAL150
AARG151
BASP178

site_idBC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 2DZ B 401
ChainResidue
BPRO38
BTHR39
BMET40
BHIS44
BGLY46
BHIS47
BHIS135
BVAL139
BVAL143
BPHE157
BLYS160
BASP161
BGLN164
BPRO185
BTHR186
BVAL187
BMET195
BSER196
BSER197
BHOH541
BHOH551
BHOH713
BHOH717
BHOH722
BHOH728

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 402
ChainResidue
AASP174
BMET109
BTYR110
BGLY113
BARG115
BTHR116
BLYS145
BHOH537

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
AGLN148
AARG151
BLEU147
BGLN148
BASP178
BVAL179
BHOH506
BHOH544

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton donor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues28
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"16460002","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"N-acetylthreonine","evidences":[{"source":"PubMed","id":"21969609","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

238895

PDB entries from 2025-07-16

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