4XZ3

Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (Se-Met derivative) in complex with coenzyme A and Mg-AMPPCP, phosphohistidine segment pointing towards nucleotide binding site

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0043758	molecular_function	acetate-CoA ligase (ADP-forming) activity
A	0046872	molecular_function	metal ion binding
B	0005524	molecular_function	ATP binding
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0043758	molecular_function	acetate-CoA ligase (ADP-forming) activity
C	0046872	molecular_function	metal ion binding
D	0005524	molecular_function	ATP binding
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue COA A 501

Chain	Residue
A	VAL16
A	PRO76
A	LYS79
A	VAL83
A	ILE98
A	THR99
A	SER100
A	ASN129
A	ILE130
A	PHE144
A	GLY161
A	GLY17
A	SER19
A	LYS24
A	ILE25
A	ASN46
A	PRO47
A	SER74
A	VAL75

---

site_id	AC2
Number of Residues	11
Details	binding site for residue ACP A 502

Chain	Residue
A	GLY307
A	GLY308
A	GLY309
A	PHE343
A	ALA344
A	SER345
A	MG503
C	ASN129
C	SER160
C	GLY161
C	ALA162

---

site_id	AC3
Number of Residues	1
Details	binding site for residue MG A 503

Chain	Residue
A	ACP502

---

site_id	AC4
Number of Residues	12
Details	binding site for residue ACP B 300

Chain	Residue
B	LYS60
B	GLN111
B	GLU112
B	PHE113
B	ALA114
B	VAL223
B	ASP224
B	ARG226
B	MG301
B	HOH402
B	HOH405
B	HOH410

---

site_id	AC5
Number of Residues	3
Details	binding site for residue MG B 301

Chain	Residue
B	ASP224
B	ACP300
B	HOH411

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site_id	AC6
Number of Residues	10
Details	binding site for residue ACP C 501

Chain	Residue
A	GLU104
A	ASN129
A	SER160
A	GLY161
A	ALA162
C	GLY308
C	GLY309
C	PHE343
C	SER345
C	MG502

---

site_id	AC7
Number of Residues	2
Details	binding site for residue MG C 502

Chain	Residue
C	ASP351
C	ACP501

---

site_id	AC8
Number of Residues	1
Details	binding site for residue MG C 503

Chain	Residue
C	ASP66

---

site_id	AC9
Number of Residues	17
Details	binding site for residue COA C 504

Chain	Residue
C	VAL16
C	GLY17
C	SER19
C	LYS24
C	ILE25
C	ASN46
C	PRO47
C	SER74
C	VAL75
C	PRO76
C	LYS79
C	VAL83
C	ILE98
C	SER100
C	ASN129
C	ILE130
C	GLY161

---

site_id	AD1
Number of Residues	8
Details	binding site for residue ACP D 300

Chain	Residue
D	SER70
D	GLN111
D	GLU112
D	ALA114
D	VAL223
D	ASP224
D	ARG226
D	MG301

---

site_id	AD2
Number of Residues	3
Details	binding site for residue MG D 301

Chain	Residue
D	ASN211
D	ASP224
D	ACP300

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