Structure of PDB 2bbh Chain A Binding Site BS02

Receptor Information
>2bbh Chain A (length=223) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPGTLVYTGKYREDFEIEVMNYSIEEFREFKTTDVESVLPFRDSSTPTWI
NITGIHRTDVVQRVGEFFGTHPLVLEDILNVHQRPKVEFFENYVFIVLKM
FTYDKHELESEQVSLILTKNCVLMFQEKIGDVFDPVRERIRYNRGIIRKK
RADYLLYSLIDALVDDYFVLLEKIDDEIDVLEEEVTVQRTHQLKRNLVEL
RKTIWPLREVLSSLYRDVPPLIE
Ligand information
Ligand IDDMU
InChIInChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyWOQQAWHSKSSAGF-WXFJLFHKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.370CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
FormulaC22 H42 O11
NameDECYL-BETA-D-MALTOPYRANOSIDE;
DECYLMALTOSIDE
ChEMBL
DrugBank
ZINCZINC000085482724
PDB chain2bbh Chain A Residue 402 [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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PDB2bbh Crystal structure of the CorA Mg2+ transporter.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K111 F113 S124 V178 Y181 T224
Binding residue
(residue number reindexed from 1)		K99 F101 S110 V164 Y167 T203
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046873 metal ion transmembrane transporter activity
Biological Process
GO:0030001 metal ion 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:2bbh, PDBe:2bbh, PDBj:2bbh
PDBsum2bbh
PubMed16598263
UniProtQ9WZ31|CORA_THEMA Cobalt/magnesium transport protein CorA (Gene Name=corA)

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