Structure of PDB 1q19 Chain D Binding Site BS02

Receptor Information
>1q19 Chain D (length=500) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNSFCVVYKGSDTDINNIQRDFDGKGEALSNGYLFIEQNGHYQKCEMERG
TAYLIGSLYNRTFLIGLAGVWEGEAYLANDAELLALLFTRLGANALALAE
GDFCFFIDEPNGELTVITESRGFSPVHVVQGKKAWMTNSLKLVTAAEGEG
ALWFEEEALVCQSLMRADTYTPVKNAQRLKPGAVHVLTHDSEGYSFVESR
TLTTPASNQLLALPREPLLALIDRYLNAPLEDLAPRFDTVGIPLSGGLDS
SLVTALASRHFKKLNTYSIGTELSNEFEFSQQVADALGTHHQMKILSETE
VINGIIESIYYNEIFDGLSAEIQSGLFNVYRQAQGQVSCMLTGYGSDLLF
GGILKPGAQYDNPNQLLAEQVYRTRWTGEFATHGASCYGIDIRHPFWSHS
LISLCHALHPDYKIFDNEVKNILREYADSLQLLPKDIVWRKKIGIHEGSS
VNQAFANVLGSTVDNYQTKSRFTYRVYQAFLRGRLSITDVTPSQLKDLIK
Ligand information
Ligand IDSSC
InChIInChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKeyLIZWYFXJOOUDNV-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(NC1CC(=O)O)C(=O)O
CACTVS 3.341OC(=O)C[CH]1CC[CH](N1)C(O)=O
ACDLabs 10.04O=C(O)CC1NC(C(=O)O)CC1
CACTVS 3.341OC(=O)C[C@@H]1CC[C@H](N1)C(O)=O
OpenEye OEToolkits 1.5.0C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O
FormulaC7 H11 N O4
Name(2S,5S)-5-CARBOXYMETHYLPROLINE
ChEMBL
DrugBankDB03215
ZINC
PDB chain1q19 Chain D Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1q19 Crystal Structure of Carbapenam Synthetase (CarA)
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I323 Y345 G346 D348
Binding residue
(residue number reindexed from 1)		I322 Y344 G345 D347
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G57 L319 E322 Y345 E380 K443
Catalytic site (residue number reindexed from 1) G56 L318 E321 Y344 E379 K442
Enzyme Commision number 6.3.3.6: carbapenam-3-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0004066 asparagine synthase (glutamine-hydrolyzing) activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006529 asparagine biosynthetic process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1q19, PDBe:1q19, PDBj:1q19
PDBsum1q19
PubMed12890666
UniProtQ9XB61|CARA_PECCC Carbapenam-3-carboxylate synthase (Gene Name=carA)

[Back to BioLiP]