Structure of PDB 1tz2 Chain B Binding Site BS01

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 IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1tz2 Chain B Residue 401 [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)		N50 K51 K54 N79 C196 S197 V198 T199 G200 T202 Y294 E295 L322 G323 G324
Binding residue
(residue number reindexed from 1)		N50 K51 K54 N79 C186 S187 V188 T189 G190 T192 Y284 E285 L312 G313 G314
Annotation score1
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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