1N2S

CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH

Replaces:  1KC0

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
A	0008831	molecular_function	dTDP-4-dehydrorhamnose reductase activity
A	0009103	biological_process	lipopolysaccharide biosynthetic process
A	0009243	biological_process	O antigen biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0019305	biological_process	dTDP-rhamnose biosynthetic process
A	0045226	biological_process	extracellular polysaccharide biosynthetic process
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 501

Chain	Residue
A	HOH906
A	HOH906
A	HOH907
A	HOH907
A	HOH920
A	HOH920

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site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAI A 901

Chain	Residue
A	GLN11
A	VAL12
A	ASP30
A	VAL31
A	GLY38
A	ASP39
A	PHE40
A	ALA62
A	ALA63
A	THR65
A	LEU80
A	TYR102
A	SER103
A	TYR128
A	LYS132
A	THR151
A	VAL154
A	HOH928
A	HOH949
A	HOH983
A	GLY7
A	THR9
A	GLY10

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor/acceptor => ECO:0000269|PubMed:12057193

Chain	Residue	Details
A	TYR128

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:12057193, ECO:0007744|PDB:1N2S

Chain	Residue	Details
A	GLY10
A	ASP30

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site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:12057193, ECO:0007744|PDB:1KC1

Chain	Residue	Details
A	GLN11
A	ASP39
A	ALA63
A	TYR102
A	TYR128
A	LYS132

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site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:12057193, ECO:0007744|PDB:1KC3

Chain	Residue	Details
A	THR104
A	TRP153

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site_id	SWS_FT_FI5
Number of Residues	1
Details	SITE: Could provide a fine-tuning to achieve optimal pKa matching between active site and substrate => ECO:0000305|PubMed:12057193

Chain	Residue	Details
A	THR104

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	THR104
A	TYR106
A	TYR128
A	LYS132

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	THR104
A	LYS132
A	TYR128

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