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4MUI

Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-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 Residues5
DetailsBINDING SITE FOR RESIDUE EOH A 401
ChainResidue
AARG115
ATHR117
BGLN119
BPRO120
B2DQ403

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 403
ChainResidue
ATHR218
BHIS222
BTHR225

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EOH A 404
ChainResidue
AASN176

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 2DQ A 405
ChainResidue
APRO38
ATHR39
AMET40
AHIS44
AGLY46
AHIS47
ALEU50
ATYR82
AVAL139
AVAL143
APHE157
ALYS160
AASP161
AGLN164
APRO185
ATHR186
AVAL187
AMET195
ASER196
ASER197
AHOH647

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
AMET109
ATYR110
AGLY113
ALEU114
AARG115
ATHR116
ALYS145
AHOH639
BASP174

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 401
ChainResidue
BMET40
BPHE67
BASN69
B2DQ402
BHOH525

site_idAC7
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 2DQ B 402
ChainResidue
BPRO38
BTHR39
BMET40
BHIS44
BGLY46
BHIS47
BLEU50
BVAL139
BVAL143
BPHE157
BGLN164
BPRO185
BVAL187
BMET195
BSER196
BSER197
BEDO401

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2DQ B 403
ChainResidue
AMET71
ALEU114
APRO133
ATHR134
AALA137
AEOH401
BILE3
BPHE6
BPRO8
BLEU27
BTHR30
BARG32
BGLN119

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
AASP174
BMET109
BTYR110
BGLY113
BLEU114
BARG115
BTHR116
BLYS145
BHOH524

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH B 405
ChainResidue
BGLY244
BARG273
BGLY275

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

246704

PDB entries from 2025-12-24

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