Structure of PDB 1tzm Chain A Binding Site BS02

Receptor Information
>1tzm Chain A (length=331) Species: 74568 (Pseudomonas sp. ACP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGN
KTRKLEYLIPEALAQGCDTLVSIGGIQSNQTRQVAAVAAHLGMKCVLVQE
NWVNYSDAVYDRVGNIQMSRILGADVRLVPDRSWEDALESVRAAGGKPYA
IPAGCSDHPLGGLGFVGFAEEVRAQEAELGFKFDYVVVCSVTGSTQAGMV
VGFAADGRADRVIGVDASAKPAQTREQITRIARQTAEKVGLERDIMRADV
VLDERFAGPEYGLPNEGTLEAIRLCARTEGMLTDPVYEGKSMHGMIEMVR
NGEFPEGSRVLYAHLGGVPALNGYSFIFRDG
Ligand information
Ligand IDC2N
InChIInChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1
InChIKeyASBJGPTTYPEMLP-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@H](CCl)C(O)=O
ACDLabs 12.01ClCC(N)C(=O)O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)Cl
OpenEye OEToolkits 1.7.2C([C@H](C(=O)O)N)Cl
CACTVS 3.370N[CH](CCl)C(O)=O
FormulaC3 H6 Cl N O2
Name3-chloro-D-alanine;
3-CHLOROALANINATE
ChEMBLCHEMBL295666
DrugBankDB01735
ZINCZINC000001529479
PDB chain1tzm Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tzm 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
Resolution2.08 Å
Binding residue
(original residue number in PDB)		G74 S78 N79 Q80 W102 A160 G161 Y294
Binding residue
(residue number reindexed from 1)		G74 S78 N79 Q80 W102 A153 G154 Y287
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K51 Y268 Y294
Catalytic site (residue number reindexed from 1) K51 Y261 Y287
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:1tzm, PDBe:1tzm, PDBj:1tzm
PDBsum1tzm
PubMed15491139
UniProtQ00740|1A1D_PSEUD 1-aminocyclopropane-1-carboxylate deaminase (Gene Name=acdS)

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