Structure of PDB 4rsm Chain C Binding Site BS01

Receptor Information
>4rsm Chain C (length=314) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTTRIGVTVYDMSSFITAGKEGMDAYAKDNNIELIWNSANLDVSTQASQV
DSMINQGVDAIIVVPVQADSLAPQVASAKAKGIPLVPVNAALDSKDIAGN
VQPDDVAAGAQEMQMMADRLGGKGNIVILQGPLGQSGELDRSKGIEQVLA
KYPDIKVLAKDTANWKRDEAVNKMKNWISGFGPQIDGVVAQNDDMGLGAL
QALKESGRTGVPIVGIDGIEDGLNAVKSGDFIGTSLQNGTVELAAGLAVA
NRLAKGEPVNKEPVYIMPAITKDNVDVAIEHVVTERQQFLDGLTELINKN
LETGDIAYEGIPGQ
Ligand information
Ligand ID3VB
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyUNXHWFMMPAWVPI-QWWZWVQMSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH](O)CO
CACTVS 3.385OC[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.7.6C(C(C(CO)O)O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H](CO)O)O)O
ACDLabs 12.01OCC(O)C(O)CO
FormulaC4 H10 O4
NameD-Threitol
ChEMBL
DrugBank
ZINCZINC000000895269
PDB chain4rsm Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rsm A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y42 N121 R173 W197 N224 D249 Q269
Binding residue
(residue number reindexed from 1)		Y10 N89 R141 W165 N192 D217 Q237
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0008643 carbohydrate transport
GO:0009758 carbohydrate utilization
GO:0071322 cellular response to carbohydrate stimulus
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rsm, PDBe:4rsm, PDBj:4rsm
PDBsum4rsm
PubMed26560079
UniProtA0QYB5|THPA_MYCS2 D-threitol-binding protein (Gene Name=thpA)

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