Structure of PDB 5xwc Chain A Binding Site BS03

Receptor Information
>5xwc Chain A (length=459) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNLPHEPEFEQAYKELASTLENSTLFQKNPEYRKALAVVSVPERVIQFRV
VWEDDAGNVQVNRGFRVQFNSALGPYKGGLRFHPSVNLSILKFLGFEQIF
KNALTGLNMGGGKGGSDFDPKGKSDNEIRRFCVSFMTELCKHIGADTDVP
AGDIGVTGREVGFLFGQYRKIRNQWEGVLTGKGGSWGGSLIRPEATGYGV
VYYVEHMIAHATNGQESFKGKRVAISGSGNVAQYAALKVIELGGSVVSLS
DSQGSLIINGEGSFTPEEIELIAQTKVERKQLASIVGAAPFSDANKFKYI
AGARPWVHVGKVDVALPSATQNEISGEEAQVLINAGCKFIAEGSNMGCTQ
EAIDTFEAHRTANAGAAAIWYAPGKAANAGGVAVSGLEMAQNSARLSWTS
EEVDARLKDIMRDCFKNGLETAQEYATPAEGVLPSLVTGSNIAGFTKVAA
AMKDQGDWW
Ligand information
Ligand ID2IT
InChIInChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-
InChIKeyUZWLXPOZNAJCJV-UTCJRWHESA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=N)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=N)C(=O)O
ACDLabs 12.01O=C(O)CCC(=[N@H])C(=O)O
OpenEye OEToolkits 1.7.6[H]/N=C(/CCC(=O)O)\C(=O)O
FormulaC5 H7 N O4
Name(2Z)-2-iminopentanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain5xwc Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xwc Structural basis for the catalytic mechanism and alpha-ketoglutarate cooperativity of glutamate dehydrogenase.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K78 G79 Q99 K102 K114 A152 R193 V383 S386
Binding residue
(residue number reindexed from 1)		K77 G78 Q98 K101 K113 A151 R192 V382 S385
Annotation score2
Enzymatic activity
Enzyme Commision number 1.4.1.4: glutamate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004353 glutamate dehydrogenase [NAD(P)+] activity
GO:0004354 glutamate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0016639 oxidoreductase activity, acting on the CH-NH2 group of donors, NAD or NADP as acceptor
Biological Process
GO:0006520 amino acid metabolic process
GO:0006537 glutamate biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xwc, PDBe:5xwc, PDBj:5xwc
PDBsum5xwc
PubMed29540480
UniProtB6V7E4

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