Structure of PDB 6zlh Chain C Binding Site BS01

Receptor Information
>6zlh Chain C (length=423) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYLDYPVLWKILWGLVLGAVFGLIAGHFGYAGAVKTYIKPFGDLFVRLLK
MLVMPIVLASLVVGAASISPARLGRVGVKIVVYYLATSAMAVFFGLIVGR
LFNVGANVNLGSGTGKAIEAQPPSLVQTLLNIVPTNPFASLAKGEVLPVI
FFAIILGIAITYLMNRNEERVRKSAETLLRVFDGLAEAMYLIVGGVMQYA
PIGVFALIAYVMAEQGVRVVGPLAKVVGAVYTGLFLQIVITYFILLKVFG
IDPIKFIRKAKDAMITAFVTRSSSGTLPVTMRVAEEEMGVDKGIFSFTLP
LGATINMDGTALYQGVTVLFVANAIGHPLTLGQQLVVVLTAVLASIGTAG
VPGAGAIMLAMVLQSVGLDLTPGSPVALAYAMILGIDAILDMGRTMVNVT
GDLAGTVIVAKTEKELDESKWIS
Ligand information
Ligand IDQM5
InChIInChI=1S/C18H21N3O6/c1-26-14-8-6-13(7-9-14)21-20-12-4-2-11(3-5-12)10-27-16(18(24)25)15(19)17(22)23/h2-9,15-16,20-21H,10,19H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1
InChIKeyFVCUHYYDCQQINH-HOTGVXAUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(NNc2ccc(CO[C@@H]([C@H](N)C(O)=O)C(O)=O)cc2)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NNc2ccc(cc2)COC(C(C(=O)O)N)C(=O)O
CACTVS 3.385COc1ccc(NNc2ccc(CO[CH]([CH](N)C(O)=O)C(O)=O)cc2)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O
FormulaC18 H21 N3 O6
Name(2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain6zlh Chain C Residue 501 [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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PDB6zlh Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R278 S280 T317 G360 D398 R401 T402
Binding residue
(residue number reindexed from 1)		R271 S273 T310 G353 D391 R394 T395
Annotation score1
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:6zlh, PDBe:6zlh, PDBj:6zlh
PDBsum6zlh
PubMed33449695
UniProtQ5JID0

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