Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6P02

Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004068	molecular_function	aspartate 1-decarboxylase activity
A	0006523	biological_process	alanine biosynthetic process
B	0004068	molecular_function	aspartate 1-decarboxylase activity
B	0006523	biological_process	alanine biosynthetic process
C	0004068	molecular_function	aspartate 1-decarboxylase activity
C	0006523	biological_process	alanine biosynthetic process
D	0004068	molecular_function	aspartate 1-decarboxylase activity
D	0006523	biological_process	alanine biosynthetic process
E	0004068	molecular_function	aspartate 1-decarboxylase activity
E	0006523	biological_process	alanine biosynthetic process
F	0004068	molecular_function	aspartate 1-decarboxylase activity
F	0006523	biological_process	alanine biosynthetic process
G	0004068	molecular_function	aspartate 1-decarboxylase activity
G	0006523	biological_process	alanine biosynthetic process
H	0004068	molecular_function	aspartate 1-decarboxylase activity
H	0006523	biological_process	alanine biosynthetic process
I	0004068	molecular_function	aspartate 1-decarboxylase activity
I	0006523	biological_process	alanine biosynthetic process
J	0004068	molecular_function	aspartate 1-decarboxylase activity
J	0006523	biological_process	alanine biosynthetic process
K	0004068	molecular_function	aspartate 1-decarboxylase activity
K	0006523	biological_process	alanine biosynthetic process
L	0004068	molecular_function	aspartate 1-decarboxylase activity
L	0006523	biological_process	alanine biosynthetic process
M	0004068	molecular_function	aspartate 1-decarboxylase activity
M	0006523	biological_process	alanine biosynthetic process
N	0004068	molecular_function	aspartate 1-decarboxylase activity
N	0006523	biological_process	alanine biosynthetic process
O	0004068	molecular_function	aspartate 1-decarboxylase activity
O	0006523	biological_process	alanine biosynthetic process
P	0004068	molecular_function	aspartate 1-decarboxylase activity
P	0006523	biological_process	alanine biosynthetic process
Q	0004068	molecular_function	aspartate 1-decarboxylase activity
Q	0006523	biological_process	alanine biosynthetic process
R	0004068	molecular_function	aspartate 1-decarboxylase activity
R	0006523	biological_process	alanine biosynthetic process
S	0004068	molecular_function	aspartate 1-decarboxylase activity
S	0006523	biological_process	alanine biosynthetic process
T	0004068	molecular_function	aspartate 1-decarboxylase activity
T	0006523	biological_process	alanine biosynthetic process
U	0004068	molecular_function	aspartate 1-decarboxylase activity
U	0006523	biological_process	alanine biosynthetic process
V	0004068	molecular_function	aspartate 1-decarboxylase activity
V	0006523	biological_process	alanine biosynthetic process
W	0004068	molecular_function	aspartate 1-decarboxylase activity
W	0006523	biological_process	alanine biosynthetic process
X	0004068	molecular_function	aspartate 1-decarboxylase activity
X	0006523	biological_process	alanine biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue NMJ B 201

Chain	Residue
B	PYR25
H	TYR90
B	THR57
B	TYR58
B	ASN72
B	GLY73
B	ALA74
B	ALA75
H	ARG54
H	ILE88

site_id	AC2
Number of Residues	12
Details	binding site for residue NMJ D 201

Chain	Residue
A	LYS9
B	VAL47
B	ARG54
B	ILE86
B	ILE88
B	TYR90
D	PYR25
D	TYR58
D	ASN72
D	GLY73
D	ALA74
D	ALA75

site_id	AC3
Number of Residues	11
Details	binding site for residue NMJ F 201

Chain	Residue
D	VAL47
D	ARG54
D	ILE86
D	ILE88
D	TYR90
F	VAL56
F	TYR58
F	ASN72
F	GLY73
F	ALA74
F	ALA75

site_id	AC4
Number of Residues	10
Details	binding site for residue NMJ H 201

Chain	Residue
F	ARG54
F	ILE86
F	ILE88
F	TYR90
H	PYR25
H	TYR58
H	ASN72
H	GLY73
H	ALA74
H	ALA75

site_id	AC5
Number of Residues	9
Details	binding site for residue NMJ J 201

Chain	Residue
J	PYR25
J	THR57
J	TYR58
J	ASN72
J	GLY73
J	ALA74
J	ALA75
P	ARG54
P	ILE86

site_id	AC6
Number of Residues	11
Details	binding site for residue NMJ L 201

Chain	Residue
J	VAL47
J	ARG54
J	ILE88
J	TYR90
L	PYR25
L	THR57
L	TYR58
L	ASN72
L	GLY73
L	ALA74
L	ALA75

site_id	AC7
Number of Residues	12
Details	binding site for residue NMJ N 201

Chain	Residue
K	LYS9
L	ARG54
L	ILE88
L	TYR90
N	PYR25
N	VAL56
N	THR57
N	TYR58
N	ASN72
N	GLY73
N	ALA74
N	ALA75

site_id	AC8
Number of Residues	12
Details	binding site for residue NMJ P 201

Chain	Residue
N	ARG54
N	ILE86
N	ILE88
N	TYR90
P	PYR25
P	VAL56
P	THR57
P	TYR58
P	ASN72
P	GLY73
P	ALA74
P	ALA75

site_id	AC9
Number of Residues	11
Details	binding site for residue NMJ R 201

Chain	Residue
R	PYR25
R	THR57
R	TYR58
R	ASN72
R	GLY73
R	ALA74
R	ALA75
X	VAL47
X	ARG54
X	ILE86
X	TYR90

site_id	AD1
Number of Residues	12
Details	binding site for residue NMJ T 201

Chain	Residue
R	ILE86
R	ILE88
R	TYR90
T	PYR25
T	VAL56
T	THR57
T	TYR58
T	ASN72
T	GLY73
T	ALA74
T	ALA75
R	ARG54

site_id	AD2
Number of Residues	11
Details	binding site for residue NMJ V 201

Chain	Residue
S	LYS9
T	ARG54
T	ILE88
T	TYR90
V	PYR25
V	THR57
V	TYR58
V	ASN72
V	GLY73
V	ALA74
V	ALA75

site_id	AD3
Number of Residues	13
Details	binding site for residue NMJ X 201

Chain	Residue
V	VAL47
V	ARG54
V	ILE86
V	ILE88
V	TYR90
X	PYR25
X	VAL56
X	THR57
X	TYR58
X	ASN72
X	GLY73
X	ALA74
X	ALA75

site_id	AD4
Number of Residues	9
Details	binding site for Di-peptide PYR D 25 and VAL D 26

Chain	Residue
D	THR27
D	ILE28
D	THR57
D	TYR58
D	ALA59
D	ILE60
D	GLY70
D	ASN72
D	NMJ201

site_id	AD5
Number of Residues	8
Details	binding site for Di-peptide PYR F 25 and VAL F 26

Chain	Residue
F	THR27
F	ILE28
F	THR57
F	TYR58
F	ALA59
F	ILE60
F	GLY70
F	ASN72

site_id	AD6
Number of Residues	9
Details	binding site for Di-peptide PYR H 25 and VAL H 26

Chain	Residue
H	THR27
H	ILE28
H	THR57
H	TYR58
H	ALA59
H	ILE60
H	GLY70
H	ASN72
H	NMJ201

site_id	AD7
Number of Residues	10
Details	binding site for Di-peptide PYR J 25 and VAL J 26

Chain	Residue
J	THR27
J	ILE28
J	THR57
J	TYR58
J	ALA59
J	ILE60
J	GLY70
J	ILE71
J	ASN72
J	NMJ201

site_id	AD8
Number of Residues	9
Details	binding site for Di-peptide PYR L 25 and VAL L 26

Chain	Residue
L	THR27
L	ILE28
L	THR57
L	TYR58
L	ALA59
L	ILE60
L	GLY70
L	ASN72
L	NMJ201

site_id	AD9
Number of Residues	9
Details	binding site for Di-peptide PYR N 25 and VAL N 26

Chain	Residue
N	THR27
N	ILE28
N	THR57
N	TYR58
N	ALA59
N	ILE60
N	GLY70
N	ASN72
N	NMJ201

site_id	AE1
Number of Residues	9
Details	binding site for Di-peptide PYR P 25 and VAL P 26

Chain	Residue
P	THR27
P	ILE28
P	THR57
P	TYR58
P	ALA59
P	ILE60
P	GLY70
P	ASN72
P	NMJ201

site_id	AE2
Number of Residues	9
Details	binding site for Di-peptide PYR R 25 and VAL R 26

Chain	Residue
R	THR27
R	ILE28
R	THR57
R	TYR58
R	ALA59
R	ILE60
R	GLY70
R	ASN72
R	NMJ201

site_id	AE3
Number of Residues	9
Details	binding site for Di-peptide PYR T 25 and VAL T 26

Chain	Residue
T	THR27
T	ILE28
T	THR57
T	TYR58
T	ALA59
T	ILE60
T	GLY70
T	ASN72
T	NMJ201

site_id	AE4
Number of Residues	9
Details	binding site for Di-peptide PYR V 25 and VAL V 26

Chain	Residue
V	THR27
V	ILE28
V	THR57
V	TYR58
V	ALA59
V	ILE60
V	GLY70
V	ASN72
V	NMJ201

site_id	AE5
Number of Residues	9
Details	binding site for Di-peptide PYR X 25 and VAL X 26

Chain	Residue
X	THR27
X	ILE28
X	THR57
X	TYR58
X	ALA59
X	ILE60
X	GLY70
X	ASN72
X	NMJ201

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00446","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00446","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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