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4MQ6

Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-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 Residues6
DetailsBINDING SITE FOR RESIDUE EOH A 401
ChainResidue
AARG115
ATHR117
A29W405
BGLN119
BPRO120
BHOH506

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 402
ChainResidue
BTHR225
ATHR218
AHOH726
BHIS222

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 403
ChainResidue
AASN176
AHOH620
AHOH732
BALA21

site_idAC4
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 29W A 404
ChainResidue
APRO38
ATHR39
AMET40
AHIS44
AGLY46
AHIS47
ATYR82
APHE157
ALYS160
AASP161
AGLN164
APRO185
ATHR186
AVAL187
AMET195
ASER196
ASER197
AEOH410
AHOH658
AHOH730

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 29W A 405
ChainResidue
AMET71
ALEU114
APRO133
ATHR134
AGLY138
AEOH401
BILE3
BPRO4
BPHE6
BPRO8
BLEU27
BTHR30
BARG32
BGLN119

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
AMET109
ATYR110
AARG115
ATHR116
ALYS145
BASP174

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 407
ChainResidue
AGLU189
AALA190
AGLY192
AHOH632

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EOH A 408
ChainResidue
ATYR82
APRO83
AARG84
AHOH587
AHOH611
AHOH664
AHOH727

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EOH A 409
ChainResidue
AGLN148
AARG151
BGLN148
BASP178
BVAL179
BHOH540

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH A 410
ChainResidue
AMET40
AGLN72
AVAL142
A29W404
AHOH585

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EOH A 411
ChainResidue
AALA226
BALA208
BALA242
BPRO243
BHOH604
BHOH605

site_idBC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 29W B 401
ChainResidue
BPRO38
BTHR39
BMET40
BHIS44
BGLY46
BHIS47
BASP161
BGLN164
BPRO185
BVAL187
BMET195
BSER196
BSER197
BEDO404
BHOH710
BHOH715

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 402
ChainResidue
BMET109
BTYR110
BGLY113
BLEU114
BARG115
BTHR116
BLYS145
BHOH533
AASP174

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 403
ChainResidue
BGLY244
BALA246
BARG273
BGLY275

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BPHE67
BVAL142
B29W401
BHOH534

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor
ChainResidueDetails
AHIS47
BHIS47

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:16460002
ChainResidueDetails
AMET40
AGLY158
AVAL187
AMET195
BMET40
BGLY158
BVAL187
BMET195

site_idSWS_FT_FI3
Number of Residues10
DetailsBINDING:
ChainResidueDetails
AGLN72
BGLN164
AASP88
AASP89
AGLN92
AGLN164
BGLN72
BASP88
BASP89
BGLN92

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N-acetylthreonine => ECO:0007744|PubMed:21969609
ChainResidueDetails
AALA2
BALA2

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PDB entries from 2025-06-18

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