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4MUG

Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-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 Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 401
ChainResidue
ATHR218
AHOH759
BHIS222
BTHR225

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH A 402
ChainResidue
AASN176
AHOH622
BALA21

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 403
ChainResidue
AHOH741
AMET71
ATYR110

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 404
ChainResidue
AMET109
ATYR110
AGLY113
AARG115
ATHR116
ALYS145
AHOH742
BASP174

site_idAC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 2DK A 405
ChainResidue
AMET40
AHIS44
AGLY46
ATYR82
ALYS160
AASP161
AGLN164
APRO185
AVAL187
AMET195
ASER196
ASER197
AARG198
AGOL406
AHOH576
AHOH645
AHOH766
AHOH784

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 406
ChainResidue
ATHR39
AMET40
APHE67
AGLN72
AVAL142
A2DK405
AHOH506
AHOH756

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH B 401
ChainResidue
BSER24
BARG25
BARG28
BVAL150
BARG151

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 402
ChainResidue
AGLN148
AARG151
BLEU147
BGLN148
BARG151
BLEU177
BASP178
BVAL179
BHOH506
BHOH547

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2DK B 403
ChainResidue
BTHR39
BMET40
BGLY41
BHIS44
BGLY46
BHIS47
BPRO185
BTHR186
BVAL187
BMET195
BSER196
BSER197
BHOH747

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BGLY244
BARG273
BGLY275
BHOH739

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 405
ChainResidue
BPHE67
BVAL142
BLEU146
BHOH541
BHOH747

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 406
ChainResidue
BPHE6
BLEU27
BHOH704

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

238582

PDB entries from 2025-07-09

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