5ICR

2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0005886	cellular_component	plasma membrane
A	0005975	biological_process	carbohydrate metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0008610	biological_process	lipid biosynthetic process
A	0008922	molecular_function	long-chain fatty acid [acyl-carrier-protein] ligase activity
A	0016874	molecular_function	ligase activity
A	0070566	molecular_function	adenylyltransferase activity
A	0071766	biological_process	Actinobacterium-type cell wall biogenesis
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0005886	cellular_component	plasma membrane
B	0005975	biological_process	carbohydrate metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0008610	biological_process	lipid biosynthetic process
B	0008922	molecular_function	long-chain fatty acid [acyl-carrier-protein] ligase activity
B	0016874	molecular_function	ligase activity
B	0070566	molecular_function	adenylyltransferase activity
B	0071766	biological_process	Actinobacterium-type cell wall biogenesis
C	0000166	molecular_function	nucleotide binding
C	0005524	molecular_function	ATP binding
C	0005886	cellular_component	plasma membrane
C	0005975	biological_process	carbohydrate metabolic process
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0008610	biological_process	lipid biosynthetic process
C	0008922	molecular_function	long-chain fatty acid [acyl-carrier-protein] ligase activity
C	0016874	molecular_function	ligase activity
C	0070566	molecular_function	adenylyltransferase activity
C	0071766	biological_process	Actinobacterium-type cell wall biogenesis
D	0000166	molecular_function	nucleotide binding
D	0005524	molecular_function	ATP binding
D	0005886	cellular_component	plasma membrane
D	0005975	biological_process	carbohydrate metabolic process
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0008610	biological_process	lipid biosynthetic process
D	0008922	molecular_function	long-chain fatty acid [acyl-carrier-protein] ligase activity
D	0016874	molecular_function	ligase activity
D	0070566	molecular_function	adenylyltransferase activity
D	0071766	biological_process	Actinobacterium-type cell wall biogenesis

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue 649 A 701

Chain	Residue
A	LEU215
A	GLU315
A	PRO316
A	ILE317
A	SER342
A	TYR343
A	GLY344
A	LEU345
A	ALA346
A	LEU350
A	ASP469
A	GLY223
A	ILE480
A	ARG483
A	LYS601
A	HOH955
A	HOH1044
A	HOH1075
A	HIS231
A	ASP232
A	THR237
A	LEU240
A	ILE278
A	LEU311
A	SER314

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 702

Chain	Residue
A	ASN372
A	GLY374
A	TYR470
A	HOH826

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 703

Chain	Residue
A	GLY396
A	GLU399
A	TRP400
A	HOH967

---

site_id	AC4
Number of Residues	21
Details	binding site for residue 649 B 701

Chain	Residue
B	THR187
B	LEU215
B	HIS231
B	ASP232
B	THR237
B	LEU240
B	ALA241
B	SER314
B	GLU315
B	PRO316
B	SER342
B	TYR343
B	GLY344
B	LEU345
B	ALA346
B	LEU350
B	ASP469
B	ARG483
B	LYS601
B	HOH878
B	HOH935

---

site_id	AC5
Number of Residues	2
Details	binding site for residue SO4 B 703

Chain	Residue
B	VAL417
B	TYR470

---

site_id	AC6
Number of Residues	26
Details	binding site for residue 649 C 701

Chain	Residue
C	LEU215
C	GLY223
C	HIS231
C	ASP232
C	THR237
C	LEU240
C	ILE278
C	LEU311
C	SER314
C	GLU315
C	PRO316
C	ILE317
C	SER342
C	TYR343
C	GLY344
C	LEU345
C	ALA346
C	LEU350
C	ASP469
C	ILE480
C	ARG483
C	LYS601
C	HOH817
C	HOH863
C	HOH866
C	HOH958

---

site_id	AC7
Number of Residues	1
Details	binding site for residue SO4 C 702

Chain	Residue
C	VAL417

---

site_id	AC8
Number of Residues	4
Details	binding site for residue GOL C 703

Chain	Residue
C	SER19
C	SER20
C	ILE21
C	ALA205

---

site_id	AC9
Number of Residues	22
Details	binding site for residue 649 D 701

Chain	Residue
D	ALA346
D	LEU350
D	ASP469
D	ILE480
D	ARG483
D	LYS601
D	HOH883
D	HOH918
D	HOH925
D	HOH968
D	LEU215
D	HIS231
D	ASP232
D	THR237
D	LEU240
D	SER314
D	GLU315
D	PRO316
D	ILE317
D	SER342
D	GLY344
D	LEU345

---

site_id	AD1
Number of Residues	3
Details	binding site for residue SO4 D 702

Chain	Residue
D	ASN372
D	ASN494
D	HOH852

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26628098","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5D6J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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