Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3S55

Crystal structure of a putative short-chain dehydrogenase/reductase from Mycobacterium abscessus bound to NAD

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0032787	biological_process	monocarboxylic acid metabolic process
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0032787	biological_process	monocarboxylic acid metabolic process
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0032787	biological_process	monocarboxylic acid metabolic process
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0032787	biological_process	monocarboxylic acid metabolic process
D	0046872	molecular_function	metal ion binding
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
E	0032787	biological_process	monocarboxylic acid metabolic process
E	0046872	molecular_function	metal ion binding
F	0000166	molecular_function	nucleotide binding
F	0016491	molecular_function	oxidoreductase activity
F	0032787	biological_process	monocarboxylic acid metabolic process
F	0046872	molecular_function	metal ion binding
G	0000166	molecular_function	nucleotide binding
G	0016491	molecular_function	oxidoreductase activity
G	0032787	biological_process	monocarboxylic acid metabolic process
G	0046872	molecular_function	metal ion binding
H	0000166	molecular_function	nucleotide binding
H	0016491	molecular_function	oxidoreductase activity
H	0032787	biological_process	monocarboxylic acid metabolic process
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD A 279

Chain	Residue
A	GLY14
A	VAL77
A	ASN103
A	ALA104
A	GLY105
A	ILE106
A	THR126
A	VAL153
A	SER154
A	SER155
A	TYR168
A	ARG17
A	LYS172
A	PRO198
A	GLY199
A	ASN200
A	ILE201
A	THR203
A	PRO204
A	MET205
A	THR206
A	HOH284
A	GLY18
A	HOH294
A	HOH421
A	HOH583
A	HOH787
A	MET19
A	ASP38
A	ARG39
A	ALA51
A	VAL75
A	ASP76

site_id	AC2
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD B 279

Chain	Residue
B	GLY14
B	ARG17
B	GLY18
B	MET19
B	ASP38
B	ARG39
B	ALA51
B	VAL75
B	ASP76
B	VAL77
B	ASN103
B	ALA104
B	GLY105
B	ILE106
B	THR126
B	VAL153
B	SER154
B	TYR168
B	LYS172
B	PRO198
B	GLY199
B	ASN200
B	ILE201
B	THR203
B	PRO204
B	MET205
B	THR206
B	HOH288
B	HOH289
B	HOH293
B	HOH713

site_id	AC3
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD C 279

Chain	Residue
C	GLY14
C	ARG17
C	MET19
C	ASP38
C	ARG39
C	LEU50
C	ALA51
C	VAL75
C	ASP76
C	VAL77
C	ASN103
C	ALA104
C	GLY105
C	THR126
C	VAL153
C	SER154
C	TYR168
C	LYS172
C	PRO198
C	GLY199
C	ASN200
C	ILE201
C	THR203
C	PRO204
C	MET205
C	THR206
C	HOH281
C	HOH282
C	HOH299
C	HOH300
C	HOH320
C	HOH515

site_id	AC4
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD D 279

Chain	Residue
D	MET19
D	ASP38
D	ARG39
D	LEU50
D	ALA51
D	VAL75
D	ASP76
D	VAL77
D	ASN103
D	ALA104
D	GLY105
D	ILE106
D	THR126
D	VAL153
D	SER154
D	SER155
D	TYR168
D	LYS172
D	PRO198
D	GLY199
D	ILE201
D	THR203
D	PRO204
D	MET205
D	THR206
D	HOH284
D	HOH285
D	HOH298
D	HOH789
D	HOH1050
D	GLY14
D	ARG17
D	GLY18

site_id	AC5
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD E 279

Chain	Residue
E	GLY14
E	ARG17
E	MET19
E	ASP38
E	ARG39
E	LEU50
E	ALA51
E	VAL75
E	ASP76
E	VAL77
E	ASN103
E	ALA104
E	GLY105
E	ILE106
E	THR126
E	VAL153
E	SER154
E	TYR168
E	LYS172
E	PRO198
E	GLY199
E	ILE201
E	THR203
E	PRO204
E	MET205
E	THR206
E	HOH281
E	HOH298
E	HOH300

site_id	AC6
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD F 279

Chain	Residue
F	GLY14
F	ARG17
F	GLY18
F	MET19
F	ASP38
F	ARG39
F	ALA51
F	VAL75
F	ASP76
F	VAL77
F	ASN103
F	ALA104
F	GLY105
F	ILE106
F	THR126
F	VAL153
F	SER154
F	TYR168
F	LYS172
F	PRO198
F	GLY199
F	ASN200
F	ILE201
F	THR203
F	PRO204
F	MET205
F	THR206
F	HOH287
F	HOH288
F	HOH296
F	HOH302

site_id	AC7
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD G 279

Chain	Residue
G	GLY14
G	ARG17
G	GLY18
G	MET19
G	ASP38
G	ARG39
G	LEU50
G	ALA51
G	VAL75
G	ASP76
G	VAL77
G	ASN103
G	ALA104
G	GLY105
G	THR126
G	VAL153
G	SER154
G	SER155
G	TYR168
G	LYS172
G	PRO198
G	GLY199
G	ILE201
G	THR203
G	PRO204
G	MET205
G	THR206
G	HOH281
G	HOH283
G	HOH290
G	HOH526
G	HOH650

site_id	AC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD H 279

Chain	Residue
H	GLY14
H	ARG17
H	MET19
H	ASP38
H	ARG39
H	ALA51
H	VAL75
H	ASP76
H	VAL77
H	ASN103
H	ALA104
H	GLY105
H	ILE106
H	THR126
H	VAL153
H	SER154
H	TYR168
H	LYS172
H	PRO198
H	GLY199
H	ASN200
H	ILE201
H	THR203
H	PRO204
H	MET205
H	THR206
H	HOH281
H	HOH287
H	HOH288
H	HOH324
H	HOH1217

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA H 280

Chain	Residue
H	ASP55
H	GLU58
H	HOH708
H	HOH765

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 280

Chain	Residue
A	GLU6
A	HOH923
A	HOH924
A	HOH925
A	HOH926
F	HOH1110

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 280

Chain	Residue
B	GLY96
B	ASP98
B	HOH845
B	HOH961
E	HOH455
E	HOH962

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 281

Chain	Residue
B	GLU6
B	HOH964
B	HOH966
E	HOH823

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 280

Chain	Residue
B	HOH812
B	HOH902
B	HOH978
B	HOH979
E	GLU6
E	HOH980

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 280

Chain	Residue
F	GLU6
F	HOH1105
F	HOH1106
F	HOH1107
F	HOH1108
F	HOH1109

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA D 280

Chain	Residue
D	ASP55
D	GLU58
D	HOH1059

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 281

Chain	Residue
A	HOH302
A	HOH955
F	GLY96
F	ASP98
F	HOH722
F	HOH1243

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	SER155-ALA183

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)