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4MUL

Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(naphthalen-2-ylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004592molecular_functionpantoate-beta-alanine ligase activity
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0015940biological_processpantothenate biosynthetic process
A0016874molecular_functionligase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0004592molecular_functionpantoate-beta-alanine ligase activity
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0015940biological_processpantothenate biosynthetic process
B0016874molecular_functionligase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 401
ChainResidue
AARG115
ATHR117
BGLN119
BPRO120

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 402
ChainResidue
ATHR218
BHIS222
BTHR225

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EOH A 403
ChainResidue
AASN176
AHOH619

site_idAC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 2DW A 404
ChainResidue
APRO38
ATHR39
AMET40
AHIS44
AGLY46
AHIS47
AGLN72
ATYR82
AVAL139
AVAL143
ALYS160
AASP161
AGLN164
APRO185
AVAL187
AMET195
ASER196
ASER197

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 405
ChainResidue
AMET109
ATYR110
AGLY113
ALEU114
AARG115
ATHR116
ALYS145
AHOH706
BASP174

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
APRO111
AASP112

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 2DW A 407
ChainResidue
AMET71
ALEU114
APRO133
AEDO408
BILE3
BPRO4
BPHE6
BPRO8
BLEU27
BTHR30
BARG32
BGLN119

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 408
ChainResidue
AGLN119
APRO133
AALA137
A2DW407
AHOH550
AHOH552
BGLN119

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 409
ChainResidue
AGLU189
AARG207
AHOH545

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 410
ChainResidue
AALA205
AALA209
APRO243
AHOH621

site_idBC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 2DW B 401
ChainResidue
BPRO38
BTHR39
BMET40
BHIS44
BGLY46
BHIS47
BVAL139
BVAL143
BASP161
BGLN164
BPRO185
BVAL187
BMET195
BSER196
BSER197

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 402
ChainResidue
AASP174
BTYR110
BGLY113
BLEU114
BARG115
BTHR116
BLYS145
BHOH530

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EOH B 403
ChainResidue
AGLN148
AARG151
BLEU147
BGLN148
BASP178
BVAL179
BHOH537

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH B 404
ChainResidue
APRO17
BASN176
BHOH539

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

242842

PDB entries from 2025-10-08

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