Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1G1A

THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0008460	molecular_function	dTDP-glucose 4,6-dehydratase activity
A	0009225	biological_process	nucleotide-sugar metabolic process
A	0016829	molecular_function	lyase activity
B	0000166	molecular_function	nucleotide binding
B	0008460	molecular_function	dTDP-glucose 4,6-dehydratase activity
B	0009225	biological_process	nucleotide-sugar metabolic process
B	0016829	molecular_function	lyase activity
C	0000166	molecular_function	nucleotide binding
C	0008460	molecular_function	dTDP-glucose 4,6-dehydratase activity
C	0009225	biological_process	nucleotide-sugar metabolic process
C	0016829	molecular_function	lyase activity
D	0000166	molecular_function	nucleotide binding
D	0008460	molecular_function	dTDP-glucose 4,6-dehydratase activity
D	0009225	biological_process	nucleotide-sugar metabolic process
D	0016829	molecular_function	lyase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 5001

Chain	Residue
A	HIS202
A	LYS206
A	NAD400
A	HOH5097

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 5002

Chain	Residue
B	HOH5100
B	HOH5171
B	HIS202
B	LYS206
B	NAD500
B	HOH5063
B	HOH5066

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 5003

Chain	Residue
C	HIS202
C	LYS206
C	NAD600
C	HOH5094

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 5004

Chain	Residue
D	HIS202
D	LYS206
D	NAD700
D	HOH5093
D	HOH5118
D	HOH5124

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 5005

Chain	Residue
A	THR159
A	ALA160

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 5006

Chain	Residue
B	THR159
B	ALA160
B	HOH5138

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 5007

Chain	Residue
C	THR159
C	ALA160

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 5008

Chain	Residue
D	THR159
D	ALA160
D	HOH5031

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 5009

Chain	Residue
B	LYS264
B	THR322
B	PHE323
B	GLU324
B	HOH5116

site_id	BC1
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD A 400

Chain	Residue
A	GLY7
A	ALA9
A	GLY10
A	PHE11
A	ILE12
A	ASP32
A	LYS33
A	LEU34
A	THR35
A	ALA37
A	GLY38
A	ALA57
A	ASP58
A	ILE59
A	LEU80
A	ALA82
A	THR99
A	ILE131
A	SER132
A	THR133
A	TYR167
A	LYS171
A	CYS194
A	SER195
A	ASN197
A	SO45001
A	HOH5010
A	HOH5013
A	HOH5014
A	HOH5020
A	HOH5031
A	HOH5060
A	HOH5098

site_id	BC2
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD B 500

Chain	Residue
B	HOH5045
B	HOH5063
B	HOH5073
B	GLY7
B	ALA9
B	GLY10
B	PHE11
B	ILE12
B	ASP32
B	LYS33
B	LEU34
B	THR35
B	ALA37
B	GLY38
B	ALA57
B	ASP58
B	ILE59
B	LEU80
B	ALA81
B	ALA82
B	THR99
B	ILE131
B	SER132
B	THR133
B	TYR167
B	LYS171
B	CYS194
B	SER195
B	ASN196
B	ASN197
B	SO45002
B	HOH5019
B	HOH5025

site_id	BC3
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NAD C 600

Chain	Residue
C	GLY7
C	ALA9
C	GLY10
C	PHE11
C	ILE12
C	ASP32
C	LYS33
C	LEU34
C	THR35
C	ALA37
C	GLY38
C	ALA57
C	ASP58
C	ILE59
C	LEU80
C	ALA81
C	ALA82
C	THR99
C	ILE131
C	SER132
C	THR133
C	TYR167
C	LYS171
C	CYS194
C	SER195
C	ASN197
C	SO45003
C	HOH5026
C	HOH5034
C	HOH5045
C	HOH5052
C	HOH5058
C	HOH5081
C	HOH5094

site_id	BC4
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAD D 700

Chain	Residue
D	GLY7
D	ALA9
D	GLY10
D	PHE11
D	ILE12
D	ASP32
D	LYS33
D	LEU34
D	THR35
D	ALA37
D	GLY38
D	ALA57
D	ASP58
D	ILE59
D	LEU80
D	ALA81
D	ALA82
D	THR99
D	ILE131
D	SER132
D	THR133
D	TYR167
D	LYS171
D	CYS194
D	SER195
D	ASN197
D	SO45004
D	HOH5012
D	HOH5019
D	HOH5025
D	HOH5027
D	HOH5049
D	HOH5055
D	HOH5093
D	HOH5124

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. LftettayapSspYSASKASSdHLVrAWR

Chain	Residue	Details
A	LEU154-ARG182

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000305\|PubMed:11796113, ECO:0007744\|PDB:1KEU

Chain	Residue	Details
A	ASP134
B	ASP134
C	ASP134
D	ASP134

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250\|UniProtKB:P27830

Chain	Residue	Details
A	GLU135
B	GLU135
C	GLU135
D	GLU135

site_id	SWS_FT_FI3
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000305\|PubMed:11796113, ECO:0007744\|PDB:1KEU

Chain	Residue	Details
A	TYR167
B	TYR167
C	TYR167
D	TYR167

site_id	SWS_FT_FI4
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269\|PubMed:11243820, ECO:0000269\|PubMed:11796113, ECO:0007744\|PDB:1G1A, ECO:0007744\|PDB:1KEU, ECO:0007744\|PDB:1KEW

Chain	Residue	Details
A	PHE11
B	ASN197
C	PHE11
C	ASP32
C	ASP58
C	TYR167
C	ASN197
D	PHE11
D	ASP32
D	ASP58
D	TYR167
A	ASP32
D	ASN197
A	ASP58
A	TYR167
A	ASN197
B	PHE11
B	ASP32
B	ASP58
B	TYR167

site_id	SWS_FT_FI5
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:11796113, ECO:0000305\|PubMed:11243820, ECO:0007744\|PDB:1G1A, ECO:0007744\|PDB:1KEU, ECO:0007744\|PDB:1KEW

Chain	Residue	Details
A	LEU80
B	LEU80
C	LEU80
D	LEU80

site_id	SWS_FT_FI6
Number of Residues	36
Details	BINDING: BINDING => ECO:0000269\|PubMed:11796113, ECO:0007744\|PDB:1KEU

Chain	Residue	Details
A	SER84
B	SER84
B	THR133
B	ASN196
B	LYS206
B	PRO222
B	ARG231
B	ASN266
B	ASP296
B	TYR357
C	SER84
A	THR133
C	THR133
C	ASN196
C	LYS206
C	PRO222
C	ARG231
C	ASN266
C	ASP296
C	TYR357
D	SER84
D	THR133
A	ASN196
D	ASN196
D	LYS206
D	PRO222
D	ARG231
D	ASN266
D	ASP296
D	TYR357
A	LYS206
A	PRO222
A	ARG231
A	ASN266
A	ASP296
A	TYR357

site_id	SWS_FT_FI7
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:11243820, ECO:0000269\|PubMed:11796113, ECO:0007744\|PDB:1G1A

Chain	Residue	Details
A	THR99
B	THR99
C	THR99
D	THR99

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	THR133
A	TYR167
A	LYS171

site_id	CSA10
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
B	ASN100
B	THR133
B	TYR167
B	LYS171

site_id	CSA11
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
C	ASN100
C	THR133
C	TYR167
C	LYS171

site_id	CSA12
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
D	ASN100
D	THR133
D	TYR167
D	LYS171

site_id	CSA13
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	SER164
A	LYS171

site_id	CSA14
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
B	SER164
B	LYS171

site_id	CSA15
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
C	SER164
C	LYS171

site_id	CSA16
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
D	SER164
D	LYS171

site_id	CSA17
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	TYR167
A	LYS171

site_id	CSA18
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
B	TYR167
B	LYS171

site_id	CSA19
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
C	TYR167
C	LYS171

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

Chain	Residue	Details
B	THR133
B	TYR167
B	LYS171

site_id	CSA20
Number of Residues	2
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
D	TYR167
D	LYS171

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
C	THR133
C	TYR167
C	LYS171

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
D	THR133
D	TYR167
D	LYS171

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	GLU135
A	THR133
A	TYR167
A	LYS171

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
B	GLU135
B	THR133
B	TYR167
B	LYS171

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
C	GLU135
C	THR133
C	TYR167
C	LYS171

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
D	GLU135
D	THR133
D	TYR167
D	LYS171

site_id	CSA9
Number of Residues	4
Details	Annotated By Reference To The Literature 1db3

Chain	Residue	Details
A	ASN100
A	THR133
A	TYR167
A	LYS171

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)