Structure of PDB 5bsr Chain A

Receptor sequence
>5bsrA (length=528) Species: 4097 (Nicotiana tabacum) [Search protein sequence]
DIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADV
ELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMAN
PLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEG
CLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVT
SVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIM
QKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSG
AAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSG
ACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATAR
TIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLN
HPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYK
RIKRVFFVDAIPKSPSGKILRKDLRAKL
3D structure
PDB5bsr Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
ChainA
Resolution1.5 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) S181 S201 H229 T328 E329 K433 Q438 K518
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 COA A L110 P234 H237 Y239 F261 K443 G444 F445 F506 L102 P226 H229 Y231 F253 K435 G436 F437 F498
BS02 AMP A A309 G334 T336 D420 K437 K441 Q446 A301 G326 T328 D412 K429 K433 Q438
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:5bsr, PDBe:5bsr, PDBj:5bsr
PDBsum5bsr
PubMed26412334
UniProtO24146|4CL2_TOBAC 4-coumarate--CoA ligase 2 (Gene Name=4CL2)

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