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Receptor Information

>3kcu Chain A (length=252) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KHPLKTFYLAITAGVFISIAFVFYITATTGTGTMPFGMAKLVGGICFSLG
LILCVVCGADLFTSTVLIVVAKASGRITWGQLAKNWLNVYFGNLVGALLF
VLLMWLSGEYMTANGQWGLNVLQTADHKVHHTFIEAVCLGILANLMVCLA
VWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFAS
PEFWTAVGSAPENFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIY
LR

Ligand ID

MA5

InChI

InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1

InChIKey

RHXPDNGQJSXOMW-OIIXUNCGSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(CC1)CCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CACTVS 3.341	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.341	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	O(CCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO

Formula

C20 H36 O11

Name

2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY RAN-3,4,5-TRIOL;
CYCLOHEXYLETHYL-BETA-D-MALTOSIDE

PDB chain

3kcu Chain A Residue 286 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3kcu Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Resolution	2.243 Å
Binding residue (original residue number in PDB)	F90 A111 K112 W114 L115 Y118
Binding residue (residue number reindexed from 1)	F62 A83 K84 W86 L87 Y90
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0015499	formate transmembrane transporter activity
GO:0022857	transmembrane transporter activity
GO:0042802	identical protein binding

	Biological Process
GO:0015724	formate transport
GO:0055085	transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

PDB	RCSB:3kcu, PDBe:3kcu, PDBj:3kcu
PDBsum	3kcu
PubMed	19940917
UniProt	P0AC25\|FOCA_ECO57 Formate channel FocA (Gene Name=focA)

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Structure of PDB 3kcu Chain A Binding Site BS01