Structure of PDB 5eqh Chain A Binding Site BS01

Receptor Information
>5eqh Chain A (length=447) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVIEEFYNQTWVHRYGESILP
TTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAV
LMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGT
LHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCP
ESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVT
ILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVY
ATIGSGIVNTAFTVVSLFVVERAGRRTLHLIGLAGMAGCAILMTIALALL
EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAG
FSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET
Ligand information
Ligand ID5RF
InChIInChI=1S/C26H27BrN2O3/c1-18(20-8-4-3-5-9-20)28-26(31)24(17-21-10-6-7-11-23(21)27)29-25(30)16-19-12-14-22(32-2)15-13-19/h3-15,18,24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t18-,24-/m0/s1
InChIKeyZFUNKFOMZPXBEZ-UUOWRZLLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC
CACTVS 3.385COc1ccc(CC(=O)N[CH](Cc2ccccc2Br)C(=O)N[CH](C)c3ccccc3)cc1
CACTVS 3.385COc1ccc(CC(=O)N[C@@H](Cc2ccccc2Br)C(=O)N[C@@H](C)c3ccccc3)cc1
OpenEye OEToolkits 2.0.4CC(c1ccccc1)NC(=O)C(Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC
FormulaC26 H27 Br N2 O3
Name(2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
ChEMBLCHEMBL4089982
DrugBank
ZINCZINC000584905340
PDB chain5eqh Chain A 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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PDB5eqh Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		S80 T137 Q282 F379 W388 G408 N411 W412
Binding residue
(residue number reindexed from 1)		S72 T129 Q274 F371 W380 G400 N403 W404
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005515 protein binding
GO:0019900 kinase binding
GO:0022857 transmembrane transporter activity
GO:0033300 dehydroascorbic acid transmembrane transporter activity
GO:0042802 identical protein binding
GO:0042910 xenobiotic transmembrane transporter activity
GO:0055056 D-glucose transmembrane transporter activity
Biological Process
GO:0001666 response to hypoxia
GO:0007417 central nervous system development
GO:0007565 female pregnancy
GO:0015911 long-chain fatty acid import across plasma membrane
GO:0019852 L-ascorbic acid metabolic process
GO:0021987 cerebral cortex development
GO:0032868 response to insulin
GO:0042149 cellular response to glucose starvation
GO:0042908 xenobiotic transport
GO:0045494 photoreceptor cell maintenance
GO:0046323 D-glucose import
GO:0055085 transmembrane transport
GO:0065003 protein-containing complex assembly
GO:0070837 dehydroascorbic acid transport
GO:0071260 cellular response to mechanical stimulus
GO:0071474 cellular hyperosmotic response
GO:0098708 D-glucose import across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1904016 response to Thyroglobulin triiodothyronine
GO:1904659 D-glucose transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0001674 female germ cell nucleus
GO:0001917 photoreceptor inner segment
GO:0001939 female pronucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005901 caveola
GO:0005911 cell-cell junction
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0030018 Z disc
GO:0030496 midbody
GO:0030864 cortical actin cytoskeleton
GO:0031982 vesicle
GO:0042383 sarcolemma
GO:0042470 melanosome
GO:0045121 membrane raft
GO:0045202 synapse
GO:0070062 extracellular exosome
GO:0072562 blood microparticle
GO:0098793 presynapse
GO:1990350 glucose transporter complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5eqh, PDBe:5eqh, PDBj:5eqh
PDBsum5eqh
PubMed27078104
UniProtP11166|GTR1_HUMAN Solute carrier family 2, facilitated glucose transporter member 1 (Gene Name=SLC2A1)

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