5K85

Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003987	molecular_function	acetate-CoA ligase activity
A	0005524	molecular_function	ATP binding
A	0005829	cellular_component	cytosol
A	0006085	biological_process	acetyl-CoA biosynthetic process
A	0016208	molecular_function	AMP binding
A	0016874	molecular_function	ligase activity
A	0019427	biological_process	acetyl-CoA biosynthetic process from acetate
A	0046872	molecular_function	metal ion binding
B	0003987	molecular_function	acetate-CoA ligase activity
B	0005524	molecular_function	ATP binding
B	0005829	cellular_component	cytosol
B	0006085	biological_process	acetyl-CoA biosynthetic process
B	0016208	molecular_function	AMP binding
B	0016874	molecular_function	ligase activity
B	0019427	biological_process	acetyl-CoA biosynthetic process from acetate
B	0046872	molecular_function	metal ion binding
C	0003987	molecular_function	acetate-CoA ligase activity
C	0005524	molecular_function	ATP binding
C	0005829	cellular_component	cytosol
C	0006085	biological_process	acetyl-CoA biosynthetic process
C	0016208	molecular_function	AMP binding
C	0016874	molecular_function	ligase activity
C	0019427	biological_process	acetyl-CoA biosynthetic process from acetate
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue PRX A 701

Chain	Residue
A	TRP334
A	TRP439
A	MET440
A	THR441
A	ASP527
A	ARG542
A	HOH820
A	HOH885
A	HOH948
A	HOH997
A	HOH1014
A	THR336
A	VAL411
A	GLY412
A	GLU413
A	PRO414
A	ASP436
A	THR437
A	TYR438

---

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

Chain	Residue
A	ILE44
A	GLY45
A	SER50
A	HOH1026

---

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

Chain	Residue
A	ARG72
A	TRP77
A	ASP80
A	HOH942

---

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 704

Chain	Residue
A	GLU139
A	GLU143

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 705

Chain	Residue
A	ALA320
A	HIS321
A	PRO322
A	ASN348
A	HOH983

---

site_id	AC6
Number of Residues	7
Details	binding site for residue EDO A 706

Chain	Residue
A	PRO29
A	ASN47
A	TYR48
A	ALA454
A	ILE455
A	SER456
A	HOH819

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 707

Chain	Residue
A	ASP76
A	TRP77
A	TYR78

---

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO A 708

Chain	Residue
A	HIS43
A	LYS315
A	TYR316

---

site_id	AC9
Number of Residues	3
Details	binding site for residue PO4 B 701

Chain	Residue
B	HIS43
B	LYS315
B	HOH1018

---

site_id	AD1
Number of Residues	16
Details	binding site for residue PRX B 702

Chain	Residue
B	TRP334
B	THR336
B	GLY412
B	GLU413
B	PRO414
B	ASP436
B	THR437
B	TYR438
B	TRP439
B	MET440
B	THR441
B	ASP527
B	ARG542
B	HOH853
B	HOH957
B	HOH962

---

site_id	AD2
Number of Residues	5
Details	binding site for residue EDO B 703

Chain	Residue
B	SER607
B	ALA611
B	PRO624
B	LYS625
B	HOH807

---

site_id	AD3
Number of Residues	4
Details	binding site for residue EDO B 704

Chain	Residue
B	ASP76
B	TRP77
B	TYR106
C	LYS82

---

site_id	AD4
Number of Residues	12
Details	binding site for residue COA C 801

Chain	Residue
C	PHE190
C	ARG218
C	ALA330
C	ASP331
C	TRP334
C	THR336
C	PRO359
C	SER550
C	HIS552
C	ARG615
C	PRO620
C	PHE621

---

site_id	AD5
Number of Residues	14
Details	binding site for residue PRX C 802

Chain	Residue
C	ARG542
C	ARG553
C	THR336
C	GLY412
C	GLU413
C	PRO414
C	ASP436
C	THR437
C	TYR438
C	TRP439
C	MET440
C	THR441
C	ASP527
C	ILE539

---

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO C 803

Chain	Residue
C	ASP76
C	TRP77
C	TYR78

---

Functional Information from PROSITE/UniProt

site_id	PS00455
Number of Residues	12
Details	AMP_BINDING Putative AMP-binding domain signature. ILYTSGSTGkPK

Chain	Residue	Details
A	ILE286-LYS297

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