Structure of PDB 1tz2 Chain B Binding Site BS02

Receptor Information
>1tz2 Chain B (length=328) Species: 74568 (Pseudomonas sp. ACP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGN
KTRKLEYLIPEALAQGCDTLVSIGGIQSNQTRQVAAVAAHLGMKCVLVQE
NWVNYSDAVYDRVGNIQMSRILGADVRLVSWEDALESVRAAGGKPYAIPA
GCSDHPLGGLGFVGFAEEVRAQEAELGFKFDYVVVCSVTGSTQAGMVVGF
AADGRADRVIGVDASAKPAQTREQITRIARQTAEKVGLERDIMRADVVLD
ERFAGPEYGLPNEGTLEAIRLCARTEGMLTDPVYEGKSMHGMIEMVRNGE
FPEGSRVLYAHLGGVPALNGYSFIFRDG
Ligand information
Ligand ID1AC
InChIInChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
InChIKeyPAJPWUMXBYXFCZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1(CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC1(C(=O)O)N
ACDLabs 10.04O=C(O)C1(N)CC1
FormulaC4 H7 N O2
Name1-AMINOCYCLOPROPANECARBOXYLIC ACID
ChEMBLCHEMBL265325
DrugBankDB02085
ZINCZINC000000895536
PDB chain1tz2 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tz2 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
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K51 S78 Q80 G161 T199 Y294
Binding residue
(residue number reindexed from 1)		K51 S78 Q80 G151 T189 Y284
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K51 Y268 Y294
Catalytic site (residue number reindexed from 1) K51 Y258 Y284
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
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Biological Process
External links
PDB RCSB:1tz2, PDBe:1tz2, PDBj:1tz2
PDBsum1tz2
PubMed15491139
UniProtQ00740|1A1D_PSEUD 1-aminocyclopropane-1-carboxylate deaminase (Gene Name=acdS)

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