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3CW9

4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to 4-chlorophenacyl-CoA

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003824molecular_functioncatalytic activity
A0006631biological_processfatty acid metabolic process
A0016020cellular_componentmembrane
A0016874molecular_functionligase activity
A0031956molecular_functionmedium-chain fatty acid-CoA ligase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0003824molecular_functioncatalytic activity
B0006631biological_processfatty acid metabolic process
B0016020cellular_componentmembrane
B0016874molecular_functionligase activity
B0031956molecular_functionmedium-chain fatty acid-CoA ligase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MG B 1002
ChainResidue
BGLU230

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NO3 B 1301
ChainResidue
BHIS207
BGLY409
BGLU410
BASN411

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NO3 B 1302
ChainResidue
BPRO425
BPHE464
AILE107
AALA108
AGLY110
APHE128

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NO3 A 1303
ChainResidue
AHIS207
AGLY409
AGLU410
AASN411

site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE AMP A 997
ChainResidue
ATHR161
AGLY281
AALA282
ATHR283
AASN302
AILE303
ATYR304
AGLY305
ATHR306
ATHR307
AMET324
AASP385
AARG400
AILE406
AASN411

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE AMP B 999
ChainResidue
BTHR161
BGLY281
BALA282
BTHR283
BASN302
BILE303
BTYR304
BGLY305
BTHR307
BGLU308
BASP385
BARG400
BILE406
BASN411

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 01A A 990
ChainResidue
AARG87
AMET203
APRO204
AHIS207
ATHR251
AHIS254
AALA280
AGLY281
AILE303
AGLY305
ATHR306
AMET310
AASN311
ASER407
AGLY408
AGLY409
AGLU410
ATRP440
APHE473
AARG475
ALYS477

site_idAC9
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 01A B 991
ChainResidue
BARG87
BPHE184
BMET203
BPRO204
BHIS207
BTHR251
BHIS254
BALA280
BGLY281
BILE303
BGLY305
BTHR306
BASN311
BSER407
BGLY408
BGLY409
BGLU410
BTRP440
BPHE473
BARG475
BLYS477

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1003
ChainResidue
AARG36

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. IFYTSGTTGlPK
ChainResidueDetails
AILE158-LYS169

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1lci
ChainResidueDetails
AARG181
AHIS207
ALYS487
ATHR307

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1lci
ChainResidueDetails
BARG181
BHIS207
BLYS487
BTHR307

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PDB entries from 2024-07-17

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