6AQ4

CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0003824	molecular_function	catalytic activity
A	0006107	biological_process	oxaloacetate metabolic process
B	0000287	molecular_function	magnesium ion binding
B	0003824	molecular_function	catalytic activity
B	0006107	biological_process	oxaloacetate metabolic process
C	0000287	molecular_function	magnesium ion binding
C	0003824	molecular_function	catalytic activity
C	0006107	biological_process	oxaloacetate metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue MG A 301

Chain	Residue
A	GLU120
A	ASP146
A	CQM302
A	HOH401
A	HOH410

---

site_id	AC2
Number of Residues	25
Details	binding site for residue CQM A 302

Chain	Residue
A	LYS31
A	ASP42
A	ARG72
A	GLU120
A	GLY143
A	ALA144
A	GLU145
A	ASP146
A	ILE217
A	HIS218
A	PRO219
A	MG301
A	HOH401
A	HOH408
A	HOH472
A	HOH475
A	HOH503
A	HOH515
C	ALA252
C	MET259
C	ASP261
A	PHE20
A	CYS21
A	PRO22
A	ARG28

---

site_id	AC3
Number of Residues	5
Details	binding site for residue PO4 A 303

Chain	Residue
A	ARG158
A	ARG168
A	HOH531
B	ARG168
C	ARG168

---

site_id	AC4
Number of Residues	4
Details	binding site for residue PO4 A 304

Chain	Residue
A	HOH414
A	HOH492
A	HOH499
B	HOH444

---

site_id	AC5
Number of Residues	4
Details	binding site for residue GOL A 305

Chain	Residue
A	THR78
A	ALA79
A	ASP80
A	HOH516

---

site_id	AC6
Number of Residues	2
Details	binding site for residue CL A 306

Chain	Residue
A	ARG204
A	SER232

---

site_id	AC7
Number of Residues	5
Details	binding site for residue MG B 301

Chain	Residue
B	GLU120
B	ASP146
B	CQM302
B	HOH403
B	HOH412

---

site_id	AC8
Number of Residues	21
Details	binding site for residue CQM B 302

Chain	Residue
A	ALA252
A	MET259
A	ASP261
B	PHE20
B	PRO22
B	ARG28
B	LYS31
B	ASP42
B	ARG72
B	GLU120
B	GLY143
B	ALA144
B	GLU145
B	ASP146
B	ILE217
B	HIS218
B	PRO219
B	MG301
B	HOH403
B	HOH436
B	HOH471

---

site_id	AC9
Number of Residues	5
Details	binding site for residue PO4 B 303

Chain	Residue
A	ARG204
A	LYS235
B	ALA159
B	ARG164
B	HOH475

---

site_id	AD1
Number of Residues	1
Details	binding site for residue CL B 304

Chain	Residue
B	GLU49

---

site_id	AD2
Number of Residues	5
Details	binding site for residue MG C 301

Chain	Residue
C	GLU120
C	ASP146
C	PYR302
C	HOH411
C	HOH430

---

site_id	AD3
Number of Residues	11
Details	binding site for residue PYR C 302

Chain	Residue
B	PRO263
B	HOH496
C	ARG72
C	GLU120
C	GLY143
C	ALA144
C	GLU145
C	ASP146
C	MG301
C	HOH444
C	HOH508

---

site_id	AD4
Number of Residues	7
Details	binding site for residue GOL C 303

Chain	Residue
C	HOH534
B	ARG204
B	LYS235
B	HOH440
C	ARG158
C	ALA159
C	ARG164

---

site_id	AD5
Number of Residues	4
Details	binding site for residue CL C 304

Chain	Residue
C	ILE108
C	ASP135
C	ASP135
C	HOH431

---

site_id	AD6
Number of Residues	1
Details	binding site for residue CL C 305

Chain	Residue
C	PRO63

---

site_id	AD7
Number of Residues	8
Details	binding site for Di-peptide VAL B 126 and CSO B 127

Chain	Residue
B	ALA122
B	ARG123
B	GLY124
B	ALA125
B	ALA128
B	ALA129
B	GLU130
B	ILE131

---

site_id	AD8
Number of Residues	9
Details	binding site for Di-peptide CSO B 127 and ALA B 128

Chain	Residue
B	ARG123
B	GLY124
B	ALA125
B	VAL126
B	ALA129
B	GLU130
B	ILE131
B	ALA132
B	THR173

---

site_id	AD9
Number of Residues	9
Details	binding site for Di-peptide VAL C 126 and CSO C 127

Chain	Residue
C	ALA122
C	ARG123
C	GLY124
C	ALA125
C	ALA128
C	ALA129
C	GLU130
C	ILE131
C	HOH496

---

site_id	AE1
Number of Residues	8
Details	binding site for Di-peptide CSO C 127 and ALA C 128

Chain	Residue
C	ARG123
C	GLY124
C	ALA125
C	VAL126
C	ALA129
C	GLU130
C	ILE131
C	ALA132

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	9
Details	Binding site: {}

Chain

Residue

Details

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