Structure of PDB 6zl4 Chain B Binding Site BS01

Receptor Information
>6zl4 Chain B (length=423) Species: 311400 (Thermococcus kodakarensis) [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 chain6zl4 Chain B 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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PDB6zl4 Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R278 S279 S280 M314 T317 D398 R401 T402 N405
Binding residue
(residue number reindexed from 1)		R271 S272 S273 M307 T310 D391 R394 T395 N398
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:6zl4, PDBe:6zl4, PDBj:6zl4
PDBsum6zl4
PubMed33449695
UniProtQ5JID0

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