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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1RJW

CRYSTAL STRUCTURE OF NAD(+)-DEPENDENT ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS STRAIN LLD-R

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0008270	molecular_function	zinc ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0008270	molecular_function	zinc ion binding
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	CYS92
A	CYS95
A	CYS98
A	CYS106

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 402

Chain	Residue
A	CYS38
A	THR40
A	HIS61
A	CYS148
A	ETF501

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 401

Chain	Residue
B	CYS92
B	GLY93
B	CYS95
B	CYS98
B	CYS106

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 402

Chain	Residue
B	CYS38
B	HIS61
B	CYS148
B	ETF501

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 401

Chain	Residue
C	CYS92
C	GLY93
C	CYS95
C	CYS98
C	CYS106

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 402

Chain	Residue
C	CYS38
C	HIS61
C	CYS148
C	ETF501

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 401

Chain	Residue
D	CYS92
D	GLY93
D	CYS95
D	CYS98
D	CYS106

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 402

Chain	Residue
D	CYS38
D	HIS61
D	CYS148
D	ETF501

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ETF A 501

Chain	Residue
A	CYS38
A	THR40
A	HIS61
A	TRP87
A	CYS148
A	LEU262
A	ILE285
A	ZN402

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETF B 501

Chain	Residue
B	THR40
B	HIS61
B	TRP87
B	CYS148
B	LEU262
B	ILE285
B	ZN402

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETF C 501

Chain	Residue
C	THR40
C	HIS61
C	TRP87
C	CYS148
C	LEU262
C	ILE285
C	ZN402

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ETF D 501

Chain	Residue
D	THR40
D	HIS61
D	TRP87
D	CYS148
D	LEU262
D	ILE285
D	ZN402
D	CYS38

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETF D 601

Chain	Residue
D	PRO215
D	GLU218
D	ASP219
D	ALA220
D	ALA221
D	SER246

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETF D 602

Chain	Residue
D	TYR171
D	GLY172
D	VAL194
D	ASP195
D	ILE196
D	PRO215

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ETF B 603

Chain	Residue
B	TYR171
B	GLY172
B	ETF606

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETF C 604

Chain	Residue
C	TYR171
C	GLY172
C	ASP195
C	ILE196
C	ETF609

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETF B 605

Chain	Residue
B	LYS54
B	PRO56
B	LEU57
B	ASP117
B	HOH1310

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETF B 606

Chain	Residue
B	PRO215
B	PRO242
B	ALA243
B	ETF603

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETF A 607

Chain	Residue
A	GLY172
A	VAL194
A	ASP195
A	ILE196

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETF D 608

Chain	Residue
D	HIS43
D	TRP49
D	LEU262
D	PRO264

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETF C 609

Chain	Residue
C	ILE196
C	PRO215
C	PRO242
C	ALA243
C	SER246
C	ETF604

site_id	ZN1
Number of Residues	5
Details	STRUCTURAL ZINC SITE, CHAIN A

Chain	Residue
A	ZN401
A	CYS92
A	CYS95
A	CYS98
A	CYS106

site_id	ZN2
Number of Residues	5
Details	CATALYTIC ZINC SITE, CHAIN A

Chain	Residue
A	ETF501
A	ZN402
A	CYS38
A	HIS61
A	CYS148

site_id	ZN3
Number of Residues	5
Details	STRUCTURAL ZINC SITE, CHAIN B

Chain	Residue
B	ZN401
B	CYS92
B	CYS95
B	CYS98
B	CYS106

site_id	ZN4
Number of Residues	5
Details	CATALYTIC ZINC SITE, CHAIN B

Chain	Residue
B	ZN402
B	CYS38
B	HIS61
B	CYS148
B	ETF501

site_id	ZN5
Number of Residues	5
Details	STRUCTURAL ZINC SITE, CHAIN C

Chain	Residue
C	ZN401
C	CYS92
C	CYS95
C	CYS98
C	CYS106

site_id	ZN6
Number of Residues	5
Details	CATALYTIC ZINC SITE, CHAIN C

Chain	Residue
C	ZN402
C	CYS38
C	HIS61
C	CYS148
C	ETF501

site_id	ZN7
Number of Residues	5
Details	STRUCTURAL ZINC SITE, CHAIN D

Chain	Residue
D	ZN401
D	CYS92
D	CYS95
D	CYS98
D	CYS106

site_id	ZN8
Number of Residues	5
Details	CATALYTIC ZINC SITE, CHAIN D

Chain	Residue
D	ZN402
D	CYS38
D	HIS61
D	CYS148
D	ETF501

Functional Information from PROSITE/UniProt

site_id	PS00059
Number of Residues	15
Details	ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEgVGIveevGpgV

Chain	Residue	Details
A	GLY60-VAL74

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	68
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
A	THR40
A	HIS39

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

Chain	Residue	Details
B	THR40
B	HIS43

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

Chain	Residue	Details
C	THR40
C	HIS43

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

Chain	Residue	Details
D	THR40
D	HIS43

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
B	THR40
B	HIS39

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
C	THR40
C	HIS39

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
D	THR40
D	HIS39

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

Chain	Residue	Details
A	TRP49

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

Chain	Residue	Details
B	TRP49

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

Chain	Residue	Details
C	TRP49

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

Chain	Residue	Details
D	TRP49

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

Chain	Residue	Details
A	THR40
A	HIS43

238582

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