Structure of PDB 8cp2 Chain A Binding Site BS04

Receptor Information
>8cp2 Chain A (length=600) Species: 1424099 (Streptomyces sp. V2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSVAVVGAGPRGTSVLERLCASAPELLAPGVRLTVHVVDPAPPGPGRVW
RTAQSEDLLMNTVASQVTLFTDESVNCSGPILAGPSLHEWADGAIGPDDY
PTRALYGRYLEWVFARTLRHAPPSVRVETHRARAVRLDDAADGRQHLALD
NGRTLTGLSAVVLAQGHLPVRPSAAVLRDTEHADRHALRHIPPANPADVD
LTVISPGEPVLLRGLGLNFFDHMALLTTGRGGTYVREDGVLRYVPSGREP
RVYAGSRRGLPYQARGDNAKGPYGRHLPEVLTPEAVSAFRKRADSGEAPD
FLRDIWPLVAKEVETVYYTALVRHPDFAPRYLSLPYGDPQEAELLAEFGV
DADARWDWERVSRPYAQREFAHRGEWRQWLLGYLRADAAEALRGNVDGPL
KAALDVLRDLRNELRLVVDHRGLRGDSRRDHLDRWYTPLNAFLSIGPPRR
RIEELTALLEAGVVEVLGPRLEVTREDGAWLARSPDVPGSAVRVTTLIEA
RLPEPDLGQTADALLAHLRETGQCRAHVVDGYTTGGIDVSARPYHLVDRE
GVAHPRRFAFGVPTEGVHWVTAAGARPGVDSVTLSDADAVARAVLRVAGQ
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain8cp2 Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8cp2 A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S79 R593 R597
Binding residue
(residue number reindexed from 1)		S78 R592 R596
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:8cp2, PDBe:8cp2, PDBj:8cp2
PDBsum8cp2
PubMed37302552
UniProtA0A2V1NMV1

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