Structure of PDB 5bsm Chain A

Receptor sequence
>5bsmA (length=530) Species: 4097 (Nicotiana tabacum) [Search protein sequence]
VDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYAD
VELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMA
NPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPE
GCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLV
TSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILI
MQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMS
GAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKS
GACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATA
RTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLL
NHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFY
KRIKRVFFVDAIPKSPSGKILRKDLRAKLA
3D structure
PDB5bsm Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
ChainA
Resolution2.32 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S189 S209 H237 T336 E337 K441 Q446 K526
Catalytic site (residue number reindexed from 1) S182 S202 H230 T329 E330 K434 Q439 K519
Enzyme Commision number 6.2.1.-
6.2.1.12: 4-coumarate--CoA ligase.
6.2.1.34: trans-feruloyl-CoA synthase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ATP A S189 S190 G191 T192 T193 K197 H237 A309 A310 P311 Y333 G334 M335 T336 D420 I432 R435 K526 S182 S183 G184 T185 T186 K190 H230 A302 A303 P304 Y326 G327 M328 T329 D413 I425 R428 K519
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016207 4-coumarate-CoA ligase activity
GO:0016405 CoA-ligase activity
GO:0016874 ligase activity
GO:0050563 trans-feruloyl-CoA synthase activity
GO:0106286 (E)-caffeate-CoA ligase activity
GO:0106290 trans-cinnamate-CoA ligase activity
Biological Process
GO:0009611 response to wounding
GO:0009698 phenylpropanoid metabolic process
GO:0009753 response to jasmonic acid

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Molecular Function
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Biological Process
External links
PDB RCSB:5bsm, PDBe:5bsm, PDBj:5bsm
PDBsum5bsm
PubMed26412334
UniProtO24146|4CL2_TOBAC 4-coumarate--CoA ligase 2 (Gene Name=4CL2)

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