Structure of PDB 1f2d Chain A Binding Site BS01

Receptor Information
>1f2d Chain A (length=341) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGVAKFAKYPLTFGPSPISNLNRLSQHLGSKVNVYAKREDCNSGLAFGGN
KLRKLEYIVPDIVEGDYTHLVSIGGRQSNQTRMVAALAAKLGKKCVLIQE
DWVPIPEAEKDVYNRVGNIELSRIMGADVRVIEDGFDIGMRKSFANALQE
LEDAGHKPYPIPAGCSEHKYGGLGFVGFADEVINQEVELGIKFDKIVVCC
VTGSTTAGILAGMAQYGRQDDVIAIDASFTSEKTKEQTLRIANNTAKLIG
VEHEFKDFTLDTRFAYPCYGVPNEGTIEAIRTCAEQEGVLTDPVYEGKSM
QGLIALIKEDYFKPGANVLYVHLGGAPALSAYSSFFPTKTA
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 chain1f2d Chain A Residue 342 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f2d Crystal structure of 1-aminocyclopropane-1-carboxylate deaminase from Hansenula saturnus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N50 K51 K54 N79 C200 T202 G203 S204 T205 Y295 E296 L323 G324 G325
Binding residue
(residue number reindexed from 1)		N50 K51 K54 N79 C200 T202 G203 S204 T205 Y295 E296 L323 G324 G325
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K51 Y269 Y295
Catalytic site (residue number reindexed from 1) K51 Y269 Y295
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1f2d, PDBe:1f2d, PDBj:1f2d
PDBsum1f2d
PubMed10938279
UniProtQ7M523|1A1D_CYBSA 1-aminocyclopropane-1-carboxylate deaminase

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