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3NI2

Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003824molecular_functioncatalytic activity
A0005524molecular_functionATP binding
A0009698biological_processphenylpropanoid metabolic process
A0016405molecular_functionCoA-ligase activity
A0016874molecular_functionligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE AYL A 537
ChainResidue
ATYR236
ATHR333
APRO337
AVAL338
AASP417
ALYS434
ALYS438
AGLN443
AHOH571
AHOH583
AHOH655
ASER240
AHOH869
ALYS303
AGLY306
AALA307
APRO308
AGLN328
AGLY329
AGLY331

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE EPE A 538
ChainResidue
ALYS115
AALA119
ATYR185
APRO193
ALYS505
AHOH596
AHOH598
AHOH605
AHOH618
AHOH638
AHOH744
AHOH793
AHOH809

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE EPE A 539
ChainResidue
AASP15
AILE16
ATYR17
AILE18
ALYS20
AVAL76
AILE100
ASER120
AARG121
AASN363
ALYS394
AHOH562
AHOH608
AHOH610
AHOH622
AHOH892

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EPE A 540
ChainResidue
AGLU348
APRO349
APHE350
AASP351
AHOH1036

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. LPYSSGTTGlPK
ChainResidueDetails
ALEU183-LYS194

246031

PDB entries from 2025-12-10

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