Structure of PDB 1m2w Chain A Binding Site BS02

Receptor Information
>1m2w Chain A (length=492) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLNKQNLTQLAPEVKLPAYTLADTRQGIAHIGVGGFHRAHQAYYTDALM
NTGEGLDWSICGVGLRSEDRKARDDLAGQDYLFTLYELGDTDDTEVRVIG
SISDMLLAEDSAQALIDKLASPEIRIVSLTITEGGYCIDDSNGEFMAHLP
QIQHDLAHPSSPKTVFGFICAALTQRRAAGIPAFTVMSCDNLPHNGAVTR
KALLAFAALHNAELHDWIKAHVSFPNAMVDRITPMTSTAHRLQLHDEHGI
DDAWPVVCEPFVQWVLEDKFVNGRPAWEKVGVQFTDDVTPYEEMKIGLLN
GSHLALTYLGFLKGYRFVHETMNDPLFVAYMRAYMDLDVTPNLAPVPGID
LTDYKQTLVDRFSNQAIADQLERVCSDGSSKFPKFTVPTINRLIADGRET
ERAALVVAAWALYLKGVDENGVSYTIPDPRAEFCQGLVSDDALISQRLLA
VEEIFGTAIPNSPEFVAAFERCYGSLRDNGVTTTLKHLLKKP
Ligand information
Ligand IDMTL
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyFBPFZTCFMRRESA-KVTDHHQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
FormulaC6 H14 O6
NameD-MANNITOL
ChEMBLCHEMBL689
DrugBankDB00742
ZINCZINC000002041302
PDB chain1m2w Chain A Residue 5600 [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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PDB1m2w Crystal Structure of Pseudomonas fluorescens Mannitol 2-Dehydrogenase Binary and Ternary Complexes. Specificity and Catalytic Mechanism
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N191 D230 K295 N300 H303 R373 V374 K381
Binding residue
(residue number reindexed from 1)		N191 D230 K295 N300 H303 R373 V374 K381
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.67: mannitol 2-dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0050086 mannitol 2-dehydrogenase activity
Biological Process
GO:0019594 mannitol metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1m2w, PDBe:1m2w, PDBj:1m2w
PDBsum1m2w
PubMed12196534
UniProtO08355

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