Structure of PDB 7ngh Chain C Binding Site BS01

Receptor Information
>7ngh Chain C (length=415) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRRYLDYPVLWKILWGLVLGAVFGLIAGHFGYAGAVKTYIKPFGDLFVR
LLKMLVMPIVLASLVVGAASISPARLGRVGVKIVVYYLATSAMAVFFGLI
VGRLFNVGANVNLPPSLVQTLLNIVPTNPFASLAKGEVLPVIFFAIILGI
AITYLMNRNEERVRKSAETLLRVFDGLAEAMYLIVGGVMQYAPIGVFALI
AYVMAEQGVRVVGPLAKVVGAVYTGLFLQIVITYFILLKVFGIDPIKFIR
KAKDAMITAFVTRSSSGTLPVTMRVAEEEMGVDKGIFSFTLPLGATINMD
GTALYQGVTVLFVANAIGHPLTLGQQLVVVLTAVLASIGTAGVPGAGAIM
LAMVLQSVGLDLTPGSPVALAYAMILGIDAILDMGRTMVNVTGDLAGTVI
VAKTEKELDESKWIS
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 chain7ngh Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ngh Kinetic mechanism of Na + -coupled aspartate transport catalyzed by Glt Tk .
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S279 T317 A356 G357 V358 G360 A361 G362 D398 R401 T402
Binding residue
(residue number reindexed from 1)		S264 T302 A341 G342 V343 G345 A346 G347 D383 R386 T387
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
Biological Process
GO:0046942 carboxylic acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ngh, PDBe:7ngh, PDBj:7ngh
PDBsum7ngh
PubMed34140623
UniProtQ5JID0

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