Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1G0O

STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND PYROQUILON

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0042438	biological_process	melanin biosynthetic process
A	0047039	molecular_function	tetrahydroxynaphthalene reductase activity
B	0016491	molecular_function	oxidoreductase activity
B	0042438	biological_process	melanin biosynthetic process
B	0047039	molecular_function	tetrahydroxynaphthalene reductase activity
C	0016491	molecular_function	oxidoreductase activity
C	0042438	biological_process	melanin biosynthetic process
C	0047039	molecular_function	tetrahydroxynaphthalene reductase activity
D	0016491	molecular_function	oxidoreductase activity
D	0042438	biological_process	melanin biosynthetic process
D	0047039	molecular_function	tetrahydroxynaphthalene reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NDP A 1400

Chain	Residue
A	GLY36
A	VAL88
A	ASN114
A	SER115
A	GLY116
A	MET162
A	GLY163
A	SER164
A	TYR178
A	LYS182
A	PRO208
A	ARG39
A	GLY209
A	GLY210
A	ILE211
A	THR213
A	ASP214
A	MET215
A	PYQ1404
A	HOH1479
A	HOH1491
A	HOH1492
A	GLY40
A	HOH1493
A	HOH1523
A	HOH1636
A	ILE41
A	ALA61
A	ASN62
A	SER63
A	ALA86
A	ASN87

site_id	AC2
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NDP B 1401

Chain	Residue
B	GLY36
B	ARG39
B	GLY40
B	ILE41
B	ALA61
B	ASN62
B	SER63
B	ALA86
B	ASN87
B	VAL88
B	ASN114
B	SER115
B	GLY116
B	MET162
B	GLY163
B	SER164
B	TYR178
B	LYS182
B	PRO208
B	GLY209
B	GLY210
B	ILE211
B	THR213
B	ASP214
B	MET215
B	PYQ1405
B	HOH1453
B	HOH1454
B	HOH1456
B	HOH1457
B	HOH1465
B	HOH1466
B	HOH1467

site_id	AC3
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NDP C 1402

Chain	Residue
C	THR5
C	GLN6
C	GLY36
C	ARG39
C	GLY40
C	ILE41
C	ALA61
C	ASN62
C	SER63
C	ALA86
C	ASN87
C	VAL88
C	ASN114
C	SER115
C	GLY116
C	MET162
C	GLY163
C	SER164
C	TYR178
C	LYS182
C	PRO208
C	GLY209
C	GLY210
C	ILE211
C	THR213
C	ASP214
C	MET215
C	PYQ1406
C	HOH1414
C	HOH1416
C	HOH1423
C	HOH1544

site_id	AC4
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NDP D 1403

Chain	Residue
D	GLY36
D	ARG39
D	GLY40
D	ILE41
D	ALA61
D	ASN62
D	SER63
D	ALA86
D	ASN87
D	VAL88
D	ASN114
D	SER115
D	GLY116
D	MET162
D	GLY163
D	SER164
D	TYR178
D	LYS182
D	PRO208
D	GLY209
D	GLY210
D	ILE211
D	THR213
D	ASP214
D	MET215
D	PYQ1407
D	HOH1497
D	HOH1498
D	HOH1534
D	HOH1535
D	HOH1647
D	HOH1653
D	THR5
D	GLN6

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PYQ A 1404

Chain	Residue
A	SER164
A	ILE165
A	TYR178
A	GLY210
A	TYR223
A	NDP1400

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PYQ B 1405

Chain	Residue
B	SER164
B	ILE165
B	TYR178
B	GLY210
B	TYR223
B	NDP1401

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PYQ C 1406

Chain	Residue
C	SER164
C	ILE165
C	THR166
C	TYR178
C	GLY210
C	TYR223
C	NDP1402

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PYQ D 1407

Chain	Residue
D	SER164
D	ILE165
D	TYR178
D	GLY210
D	TYR223
D	NDP1403

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE165-ALA193

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"11342131","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8939741","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	96
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11342131","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8939741","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	SER164
A	LYS182
A	TYR178

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	HIS175
B	LYS182

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	HIS175
C	LYS182

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	HIS175
D	LYS182

site_id	CSA13
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS182
A	TYR178

site_id	CSA14
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS182
B	TYR178

site_id	CSA15
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS182
C	TYR178

site_id	CSA16
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS182
D	TYR178

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	SER164
B	LYS182
B	TYR178

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	SER164
C	LYS182
C	TYR178

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	SER164
D	LYS182
D	TYR178

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	ASN138
A	SER164
A	LYS182
A	TYR178

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	ASN138
B	SER164
B	LYS182
B	TYR178

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	ASN138
C	SER164
C	LYS182
C	TYR178

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	ASN138
D	SER164
D	LYS182
D	TYR178

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	HIS175
A	LYS182

site_id	MCSA1
Number of Residues	4
Details	M-CSA 891

Chain	Residue	Details
A	SER164	electrostatic stabiliser
A	TYR178	proton acceptor, proton donor, proton relay
A	LYS182	electrostatic stabiliser, proton acceptor, proton donor, proton relay
A	TYR223	electrostatic stabiliser

site_id	MCSA2
Number of Residues	4
Details	M-CSA 891

Chain	Residue	Details
B	SER164	electrostatic stabiliser
B	TYR178	proton acceptor, proton donor, proton relay
B	LYS182	electrostatic stabiliser, proton acceptor, proton donor, proton relay
B	TYR223	electrostatic stabiliser

site_id	MCSA3
Number of Residues	4
Details	M-CSA 891

Chain	Residue	Details
C	SER164	electrostatic stabiliser
C	TYR178	proton acceptor, proton donor, proton relay
C	LYS182	electrostatic stabiliser, proton acceptor, proton donor, proton relay
C	TYR223	electrostatic stabiliser

site_id	MCSA4
Number of Residues	4
Details	M-CSA 891

Chain	Residue	Details
D	SER164	electrostatic stabiliser
D	TYR178	proton acceptor, proton donor, proton relay
D	LYS182	electrostatic stabiliser, proton acceptor, proton donor, proton relay
D	TYR223	electrostatic stabiliser

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