Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1S20

A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
A	0070403	molecular_function	NAD+ binding
B	0003824	molecular_function	catalytic activity
B	0005737	cellular_component	cytoplasm
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
B	0070403	molecular_function	NAD+ binding
C	0003824	molecular_function	catalytic activity
C	0005737	cellular_component	cytoplasm
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
C	0070403	molecular_function	NAD+ binding
D	0003824	molecular_function	catalytic activity
D	0005737	cellular_component	cytoplasm
D	0016491	molecular_function	oxidoreductase activity
D	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
D	0070403	molecular_function	NAD+ binding
E	0003824	molecular_function	catalytic activity
E	0005737	cellular_component	cytoplasm
E	0016491	molecular_function	oxidoreductase activity
E	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
E	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
E	0070403	molecular_function	NAD+ binding
F	0003824	molecular_function	catalytic activity
F	0005737	cellular_component	cytoplasm
F	0016491	molecular_function	oxidoreductase activity
F	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
F	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
F	0070403	molecular_function	NAD+ binding
G	0003824	molecular_function	catalytic activity
G	0005737	cellular_component	cytoplasm
G	0016491	molecular_function	oxidoreductase activity
G	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
G	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
G	0070403	molecular_function	NAD+ binding
H	0003824	molecular_function	catalytic activity
H	0005737	cellular_component	cytoplasm
H	0016491	molecular_function	oxidoreductase activity
H	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
H	0047559	molecular_function	3-dehydro-L-gulonate 2-dehydrogenase activity
H	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TLA A 501

Chain	Residue
A	HIS44
A	ARG48
A	HIS116
A	SER179
A	TYR180
A	GLY181
A	NAD401
A	HOH1555
A	HOH1928

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TLA B 502

Chain	Residue
B	HIS44
B	ARG48
B	HIS116
B	SER179
B	TYR180
B	GLY181
B	NAD402
B	HOH2210

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TLA D 504

Chain	Residue
D	HIS44
D	ARG48
D	HIS116
D	SER179
D	TYR180
D	GLY181
D	NAD404
D	HOH2372
D	HOH2373

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TLA F 506

Chain	Residue
F	HIS44
F	ARG48
F	HIS116
F	SER179
F	TYR180
F	GLY181
F	NAD406
F	HOH1752
F	HOH1843
F	HOH2398

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TLA G 507

Chain	Residue
G	HIS44
G	ARG48
G	HIS116
G	SER179
G	TYR180
G	GLY181
G	NAD407
G	HOH1169
G	HOH1508
G	HOH2319

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TLA H 508

Chain	Residue
H	HIS44
H	ARG48
H	HIS116
H	SER179
H	TYR180
H	GLY181
H	NAD408
H	HOH2119

site_id	AC7
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD A 401

Chain	Residue
A	HIS44
A	HIS116
A	THR156
A	PRO158
A	MSE170
A	VAL171
A	ASP172
A	MSE173
A	SER174
A	ARG301
A	GLY304
A	GLU306
A	TLA501
A	HOH1075
A	HOH1282
A	HOH1289
A	HOH1637
A	HOH2133
A	HOH2134
A	HOH2368
B	TRP147
B	TRP224
B	LYS225

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD B 402

Chain	Residue
B	HOH1947
B	HOH2147
B	HOH2369
A	TRP224
A	LYS225
B	HIS44
B	HIS116
B	TRP117
B	THR156
B	PRO158
B	MSE170
B	VAL171
B	ASP172
B	MSE173
B	SER174
B	ARG301
B	GLY304
B	GLU306
B	TLA502
B	HOH1044
B	HOH1112
B	HOH1293
B	HOH1393
B	HOH1530
B	HOH1564

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE NAD D 404

Chain	Residue
C	TRP224
C	LYS225
D	HIS44
D	HIS116
D	TRP117
D	THR138
D	THR156
D	PRO158
D	MSE170
D	VAL171
D	ASP172
D	MSE173
D	SER174
D	GLY304
D	GLU306
D	TLA504
D	HOH1033
D	HOH1134
D	HOH1440
D	HOH2376
D	HOH2380

site_id	BC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE NAD F 406

Chain	Residue
E	TRP224
E	LYS225
E	HOH1470
F	HIS44
F	HIS116
F	TRP117
F	THR156
F	PRO158
F	MSE170
F	VAL171
F	ASP172
F	MSE173
F	SER174
F	ARG301
F	PRO303
F	GLY304
F	GLU306
F	TLA506
F	HOH1090
F	HOH1443
F	HOH1686

site_id	BC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD G 407

Chain	Residue
G	HIS44
G	HIS116
G	THR156
G	PRO158
G	MSE170
G	VAL171
G	ASP172
G	MSE173
G	SER174
G	ARG301
G	GLY304
G	GLU306
G	TLA507
G	HOH1061
G	HOH1109
G	HOH1152
G	HOH1246
G	HOH1338
G	HOH2100
H	TRP147
H	TRP224
H	LYS225
H	HOH1630

site_id	BC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD H 408

Chain	Residue
G	TRP147
G	TRP224
G	LYS225
H	HIS44
H	HIS116
H	TRP117
H	THR138
H	THR156
H	PRO158
H	MSE170
H	VAL171
H	ASP172
H	MSE173
H	SER174
H	ARG301
H	GLY304
H	GLU306
H	TLA508
H	HOH1144
H	HOH1748
H	HOH1850
H	HOH2148
H	HOH2378

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
A	HIS44

site_id	CSA2
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
B	HIS44

site_id	CSA3
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
C	HIS44

site_id	CSA4
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
D	HIS44

site_id	CSA5
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
E	HIS44

site_id	CSA6
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
F	HIS44

site_id	CSA7
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
G	HIS44

site_id	CSA8
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 14718529

Chain	Residue	Details
H	HIS44

site_id	MCSA1
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
A	PHE52	proton acceptor, proton donor

site_id	MCSA2
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
B	PHE52	proton acceptor, proton donor

site_id	MCSA3
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
C	PHE52	proton acceptor, proton donor

site_id	MCSA4
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
D	PHE52	proton acceptor, proton donor

site_id	MCSA5
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
E	PHE52	proton acceptor, proton donor

site_id	MCSA6
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
F	PHE52	proton acceptor, proton donor

site_id	MCSA7
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
G	PHE52	proton acceptor, proton donor

site_id	MCSA8
Number of Residues	1
Details	M-CSA 765

Chain	Residue	Details
H	PHE52	proton acceptor, proton donor

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