Structure of PDB 4z0n Chain A Binding Site BS01

Receptor Information
>4z0n Chain A (length=307) Species: 519441 (Streptobacillus moniliformis DSM 12112) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KITLGVTYYKFDDNFLAGMRNDMIQIAKEKYPNIELLNNDSQNSQSILND
QIEVLINKGVNVLVINLVDPTAGQSVIDKAKAANIPIILFNKDPGVDALN
SYDKAWYVGTTPKDSGILQGQVIEKAWLANPAYDLNGDGVIQYVMLFGEP
GQPDAEARTKYSIEYLNEKGIKTEELHKDIANWDAAQAKDKMDAWLSGPN
ANKIEVVIANNDGMALGAVESIKAVKKELPVFGVDAIQEALTLIEKGEMV
GTVLQDATGQARAILELANNIANGKEPTEGTEWKLIDKAVRVPYVGVDKD
NYKEFQK
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4z0n Chain A Residue 405 [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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PDB4z0n Crystal Structure of a Periplasmic Solute binding protein (IPR025997) from Streptobacillus moniliformis DSM-12112 (Smon_0317, TARGET EFI-511281) with bound D-Galactose
Resolution1.26 Å
Binding residue
(original residue number in PDB)		D38 F40 N116 K117 Q177 D179 R183 W208 N236 D260 Q280
Binding residue
(residue number reindexed from 1)		D13 F15 N91 K92 Q152 D154 R158 W183 N211 D235 Q255
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T32 Q70 S71 L114 V121 Y132 G134 M217 S246
Catalytic site (residue number reindexed from 1) T7 Q45 S46 L89 V96 Y107 G109 M192 S221
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4z0n, PDBe:4z0n, PDBj:4z0n
PDBsum4z0n
PubMed
UniProtD1AWX5

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