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4MUH

Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-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
AHOH602
BGLN119
BPRO120

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

site_idAC3
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 2DN A 403
ChainResidue
ATHR39
AMET40
AHIS44
AGLY46
AHIS47
ALYS160
AGLN164
APRO185
AVAL187
AMET195
ASER196
ASER197
AEDO405
AHOH515
AHOH679
AHOH684
AHOH693
APRO38

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 404
ChainResidue
AMET109
ATYR110
AGLY113
ALEU114
AARG115
ATHR116
ALYS145
BASP174

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 405
ChainResidue
AGLN72
AVAL142
A2DN403
AHOH580
AHOH684

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
AALA53
AVAL57
AARG154
APHE156
AVAL182
AHOH655

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EOH A 407
ChainResidue
AMET71

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 408
ChainResidue
ALEU147
AGLN148
AASP178
AHOH536
AHOH689
BGLN148
BARG151

site_idAC9
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 2DN B 401
ChainResidue
BTHR39
BMET40
BHIS44
BGLY46
BHIS47
BHIS135
BGLN164
BPRO185
BVAL187
BMET195
BSER196
BSER197
BEDO404
BHOH541
BHOH654
BHOH657
BHOH661
BHOH662
BHOH671

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 402
ChainResidue
AASP174
BMET109
BTYR110
BGLY113
BLEU114
BARG115
BTHR116
BLYS145
BHOH523

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO B 403
ChainResidue
BHOH643

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BPRO38
B2DN401
BHOH592

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 405
ChainResidue
BGLY244
BARG273
BGLY275
BHOH677

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE 2DN B 406
ChainResidue
BPRO58
BARG154
BPHE156

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EOH B 407
ChainResidue
BASN176
BHOH531

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

246031

PDB entries from 2025-12-10

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