Structure of PDB 3ww4 Chain A Binding Site BS02

Receptor Information

>3ww4 Chain A (length=241) Species: 285079 (Cellulomonas parahominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TRTAISRREYDEWLSEAASLARALRYPVTPEMVNDSAGIVFGDDQYEAFA
HGLWSREPYEVMVILESLNEPAVDGLPAAGAAHAEYSGLCDKLMIVHPGK
FCPPHFHQRKTESYEVVLGEMEVFYAPEPVTVGDDDVLSFSPMPEGSPWP
EGVALPAGREDSYAGLTSYVRLRAGDPKFVMHRKHLHAFRCPADSPVPLV
VREVSTYSHEPAAPLPQWRGLHDNTFVAEAANSGRLATAIA

Ligand information

Ligand ID

3BU

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1

InChIKey

GZCGUPFRVQAUEE-MOJAZDJTSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O
CACTVS 3.370	OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
ACDLabs 12.01	O=CC(O)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.7.6	C(C(C(C(C(C=O)O)O)O)O)O
CACTVS 3.370	OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O

Formula

C6 H12 O6

Name

L-allose

PDB chain

3ww4 Chain A Residue 402 [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	3ww4 Essentiality of tetramer formation of Cellulomonas parahominis L-ribose isomerase involved in novel L-ribose metabolic pathway.
Resolution	1.95 Å
Binding residue (original residue number in PDB)	I65 K93 C103 H106 H108 K111 E113 H188 E204 E211 R243
Binding residue (residue number reindexed from 1)	I64 K92 C102 H105 H107 K110 E112 H187 E203 E210 R235
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016853	isomerase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:3ww4, PDBe:3ww4, PDBj:3ww4
PDBsum	3ww4
PubMed	25661811
UniProt	L0N3Y0

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