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3AG6

Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus in complex with pantoyl adenylate

Functional Information from GO Data
ChainGOidnamespacecontents
A0004592molecular_functionpantoate-beta-alanine ligase activity
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0015940biological_processpantothenate biosynthetic process
A0016874molecular_functionligase activity
B0004592molecular_functionpantoate-beta-alanine ligase activity
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0015940biological_processpantothenate biosynthetic process
B0016874molecular_functionligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE PAJ A 501
ChainResidue
APRO29
AGLY148
AASP151
AGLN154
AILE174
AASP175
AILE176
AVAL177
ALYS185
AHOH290
AHOH305
ATHR30
AHOH431
AHOH435
AHOH442
AHOH502
AMET31
AHIS35
AHIS38
AMET41
AGLN62
AVAL132
APHE147

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY A 801
ChainResidue
AMET31
AGLN62
AARG122
AHIS125
AARG188
AHOH288
AHOH472

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PG4 A 903
ChainResidue
ALYS9
AGLN12
ALYS16
BALA168
BVAL169

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PG4 A 905
ChainResidue
AGLU179
AASN189
AGLU194
AARG197
AGLN198

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PG4 A 907
ChainResidue
AASP115
AHOH507

site_idAC6
Number of Residues23
DetailsBINDING SITE FOR RESIDUE PAJ B 502
ChainResidue
BPRO29
BTHR30
BMET31
BHIS35
BHIS38
BMET41
BGLN62
BVAL132
BPHE147
BGLY148
BLYS150
BASP151
BGLN154
BASP175
BILE176
BVAL177
BLYS185
BHOH284
BHOH298
BHOH336
BHOH393
BHOH422
BACY802

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY B 802
ChainResidue
BMET31
BGLN62
BARG122
BHIS125
BARG188
BHOH334
BHOH471
BPAJ502

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PG4 B 901
ChainResidue
AASP143
AALA168
BLYS9
BGLN12
BLYS16
BHOH389

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PG4 B 904
ChainResidue
BLEU61
BPHE63
BGLY64
BPRO65

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PG4 B 906
ChainResidue
BGLU179
BASN189
BLEU192
BARG197

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PG4 B 908
ChainResidue
BARG178
BGLY182
BSER204
BLEU208
BASN277
BILE278
BHOH423

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00158
ChainResidueDetails
AHIS38
BHIS38

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00158
ChainResidueDetails
AMET31
BGLN154
BVAL177
BLYS185
AGLN62
AGLY148
AGLN154
AVAL177
ALYS185
BMET31
BGLN62
BGLY148

220113

PDB entries from 2024-05-22

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