Structure of PDB 1tzj Chain C Binding Site BS02

Receptor Information
>1tzj Chain C (length=338) Species: 74568 (Pseudomonas sp. ACP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGN
KTRKLEYLIPEALAQGCDTLVSIGGIQSNQTRQVAAVAAHLGMKCVLVQE
NWVNYSDAVYDRVGNIQMSRILGADVRLVPDGFDIGFRRSWEDALESVRA
AGGKPYAIPAGCSDHPLGGLGFVGFAEEVRAQEAELGFKFDYVVVCSVTG
STQAGMVVGFAADGRADRVIGVDASAKPAQTREQITRIARQTAEKVGLER
DIMRADVVLDERFAGPEYGLPNEGTLEAIRLCARTEGMLTDPVYEGKSMH
GMIEMVRNGEFPEGSRVLYAHLGGVPALNGYSFIFRDG
Ligand information
Ligand IDA3B
InChIInChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1
InChIKeyRQVLGLPAZTUBKX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CC(C(=O)[O-])[NH3+]
ACDLabs 10.04[O-]C(=O)C(\C=C)[NH3+]
CACTVS 3.341[NH3+][C@H](C=C)C([O-])=O
OpenEye OEToolkits 1.5.0C=C[C@H](C(=O)[O-])[NH3+]
CACTVS 3.341[NH3+][CH](C=C)C([O-])=O
FormulaC4 H7 N O2
NameD-VINYLGLYCINE;
2-AMMONIOBUT-3-ENOATE;
2-AMINO-3-BUTENOATE
ChEMBL
DrugBankDB01804
ZINCZINC000002516281
PDB chain1tzj Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tzj Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction
Resolution1.99 Å
Binding residue
(original residue number in PDB)		S78 N79 Q80 Y294
Binding residue
(residue number reindexed from 1)		S78 N79 Q80 Y294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K51 Y268 Y294
Catalytic site (residue number reindexed from 1) K51 Y268 Y294
Enzyme Commision number 3.5.99.7: 1-aminocyclopropane-1-carboxylate deaminase.
Gene Ontology
Molecular Function
GO:0008660 1-aminocyclopropane-1-carboxylate deaminase activity
GO:0016787 hydrolase activity
GO:0019148 D-cysteine desulfhydrase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009310 amine catabolic process
GO:0018871 1-aminocyclopropane-1-carboxylate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tzj, PDBe:1tzj, PDBj:1tzj
PDBsum1tzj
PubMed15491139
UniProtQ00740|1A1D_PSEUD 1-aminocyclopropane-1-carboxylate deaminase (Gene Name=acdS)

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