6EE1

Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004451	molecular_function	isocitrate lyase activity
A	0006097	biological_process	glyoxylate cycle
A	0006099	biological_process	tricarboxylic acid cycle
A	0009514	cellular_component	glyoxysome
A	0016829	molecular_function	lyase activity
A	0019752	biological_process	carboxylic acid metabolic process
A	0046872	molecular_function	metal ion binding
B	0003824	molecular_function	catalytic activity
B	0004451	molecular_function	isocitrate lyase activity
B	0006097	biological_process	glyoxylate cycle
B	0006099	biological_process	tricarboxylic acid cycle
B	0009514	cellular_component	glyoxysome
B	0016829	molecular_function	lyase activity
B	0019752	biological_process	carboxylic acid metabolic process
B	0046872	molecular_function	metal ion binding
C	0003824	molecular_function	catalytic activity
C	0004451	molecular_function	isocitrate lyase activity
C	0006097	biological_process	glyoxylate cycle
C	0006099	biological_process	tricarboxylic acid cycle
C	0009514	cellular_component	glyoxysome
C	0016829	molecular_function	lyase activity
C	0019752	biological_process	carboxylic acid metabolic process
C	0046872	molecular_function	metal ion binding
D	0003824	molecular_function	catalytic activity
D	0004451	molecular_function	isocitrate lyase activity
D	0006097	biological_process	glyoxylate cycle
D	0006099	biological_process	tricarboxylic acid cycle
D	0009514	cellular_component	glyoxysome
D	0016829	molecular_function	lyase activity
D	0019752	biological_process	carboxylic acid metabolic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue ACO A 801

Chain	Residue
A	ARG674
A	MET689
A	THR690
A	VAL708
A	THR709
A	THR711
A	ASP713
A	ASN714
A	TYR716
A	GLN717
A	LYS720
A	ASP675
A	HIS724
A	LYS764
A	HOH930
A	GLN676
A	ASN677
A	THR678
A	ARG684
A	GLN685
A	LYS686
A	ARG687

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 802

Chain	Residue
A	ALA450
A	ALA453
A	GLN482
A	HOH1021
A	HOH1041

---

site_id	AC3
Number of Residues	22
Details	binding site for residue ACO B 801

Chain	Residue
B	VAL673
B	ARG674
B	ASP675
B	GLN676
B	ASN677
B	THR678
B	ARG684
B	GLN685
B	LYS686
B	ARG687
B	MET689
B	THR690
B	VAL708
B	THR711
B	ASP713
B	ASN714
B	TYR716
B	GLN717
B	LYS720
B	HIS724
B	LYS764
B	HOH945

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG B 802

Chain	Residue
B	ALA450
B	ALA453
B	GLN482
B	HOH994
B	HOH1006

---

site_id	AC5
Number of Residues	25
Details	binding site for residue ACO C 801

Chain	Residue
A	ARG665
C	VAL673
C	ARG674
C	ASP675
C	GLN676
C	ASN677
C	THR678
C	ARG684
C	GLN685
C	LYS686
C	ARG687
C	LEU688
C	MET689
C	THR690
C	VAL708
C	THR711
C	ASP713
C	ASN714
C	TYR716
C	GLN717
C	LYS720
C	HIS724
C	HOH904
C	HOH964
D	TYR716

---

site_id	AC6
Number of Residues	5
Details	binding site for residue MG C 802

Chain	Residue
C	ALA450
C	ALA453
C	GLN482
C	HOH1012
C	HOH1021

---

site_id	AC7
Number of Residues	22
Details	binding site for residue ACO D 801

Chain	Residue
D	TYR716
D	GLN717
D	LYS720
D	HIS724
D	LYS764
D	HOH904
D	HOH928
D	ARG674
D	ASP675
D	GLN676
D	ASN677
D	THR678
D	ARG684
D	GLN685
D	LYS686
D	ARG687
D	MET689
D	THR690
D	VAL708
D	THR711
D	ASP713
D	ASN714

---

site_id	AC8
Number of Residues	5
Details	binding site for residue MG D 802

Chain	Residue
D	ALA450
D	ALA453
D	GLN482
D	HOH979
D	HOH995

---

Functional Information from PROSITE/UniProt

site_id	PS00161
Number of Residues	6
Details	ISOCITRATE_LYASE Isocitrate lyase signature. KKCGHQ

Chain	Residue	Details
A	LYS213-GLN218

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P9WKK7

Chain	Residue	Details
A	CYS215
B	CYS215
C	CYS215
D	CYS215

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P9WKK7

Chain	Residue	Details
A	GLY106
B	ARG252
B	ASN487
B	THR522
C	GLY106
C	ASP177
C	GLY216
C	ARG252
C	ASN487
C	THR522
D	GLY106
A	ASP177
D	ASP177
D	GLY216
D	ARG252
D	ASN487
D	THR522
A	GLY216
A	ARG252
A	ASN487
A	THR522
B	GLY106
B	ASP177
B	GLY216

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