4XYM

Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+

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	4
Details	binding site for residue CL A 501

Chain	Residue
A	ASN46
A	PRO47
A	PRO59
A	HG502

---

site_id	AC2
Number of Residues	6
Details	binding site for residue HG A 502

Chain	Residue
A	CL501
A	ASN46
A	ALA49
A	CYS57
A	TYR58
A	PRO59

---

site_id	AC3
Number of Residues	4
Details	binding site for residue CL A 503

Chain	Residue
A	LYS60
A	VAL61
A	ASP86
A	HG504

---

site_id	AC4
Number of Residues	5
Details	binding site for residue HG A 504

Chain	Residue
A	VAL61
A	VAL83
A	ASP86
A	CYS87
A	CL503

---

site_id	AC5
Number of Residues	1
Details	binding site for residue HG A 505

Chain	Residue
A	MET209

---

site_id	AC6
Number of Residues	6
Details	binding site for residue CL A 506

Chain	Residue
A	LEU380
A	TYR381
A	GLY412
A	VAL414
A	PRO437
A	HG507

---

site_id	AC7
Number of Residues	6
Details	binding site for residue HG A 507

Chain	Residue
A	ALA310
A	TYR381
A	CYS382
A	VAL414
A	CL506
A	HOH691

---

site_id	AC8
Number of Residues	20
Details	binding site for residue COA A 508

Chain	Residue
A	GLY17
A	SER19
A	LYS24
A	ILE25
A	ASN46
A	PRO47
A	VAL75
A	PRO76
A	VAL83
A	ILE98
A	THR99
A	SER100
A	ASN129
A	ILE130
A	HOH683
A	HOH712
A	HOH715
A	HOH751
A	HOH754
A	HOH779

---

site_id	AC9
Number of Residues	20
Details	binding site for residue A12 B 300

Chain	Residue
B	LYS60
B	VAL67
B	LYS69
B	SER70
B	VAL75
B	GLN111
B	GLU112
B	PHE113
B	ALA114
B	GLU119
B	ASN211
B	PRO212
B	VAL223
B	ASP224
B	CA301
B	HOH409
B	HOH414
B	HOH447
B	HOH449
B	HOH452

---

site_id	AD1
Number of Residues	6
Details	binding site for residue CA B 301

Chain	Residue
B	ASN211
B	ASP224
B	A12300
B	HOH409
B	HOH412
B	HOH413

---

site_id	AD2
Number of Residues	5
Details	binding site for residue CL C 501

Chain	Residue
C	ASN46
C	PRO47
C	ALA49
C	PRO59
C	HG502

---

site_id	AD3
Number of Residues	5
Details	binding site for residue HG C 502

Chain	Residue
C	ASN46
C	ALA49
C	CYS57
C	TYR58
C	CL501

---

site_id	AD4
Number of Residues	4
Details	binding site for residue CL C 503

Chain	Residue
C	VAL61
C	ASP86
C	HG504
C	HOH603

---

site_id	AD5
Number of Residues	5
Details	binding site for residue HG C 504

Chain	Residue
C	VAL61
C	VAL83
C	ASP86
C	CYS87
C	CL503

---

site_id	AD6
Number of Residues	2
Details	binding site for residue HG C 505

Chain	Residue
C	MET209
C	PHE284

---

site_id	AD7
Number of Residues	5
Details	binding site for residue CL C 506

Chain	Residue
C	TYR381
C	GLY412
C	VAL414
C	PRO437
C	HG507

---

site_id	AD8
Number of Residues	5
Details	binding site for residue HG C 507

Chain	Residue
C	ALA310
C	TYR381
C	CYS382
C	CL506
C	HOH640

---

site_id	AD9
Number of Residues	24
Details	binding site for residue COA C 508

Chain	Residue
A	MET355
C	VAL16
C	GLY17
C	SER19
C	LYS24
C	ASN46
C	PRO47
C	VAL75
C	PRO76
C	VAL83
C	THR99
C	SER100
C	HOH603
C	HOH604
C	HOH650
C	HOH655
C	HOH658
C	HOH678
C	HOH679
C	HOH685
C	HOH686
C	HOH708
C	HOH714
C	HOH751

---

site_id	AE1
Number of Residues	5
Details	binding site for residue NA D 301

Chain	Residue
D	GLY31
D	ASP190
D	ALA191
D	ARG194
D	HOH442

---

site_id	AE2
Number of Residues	20
Details	binding site for residue A12 D 302

Chain	Residue
D	LYS60
D	VAL67
D	LYS69
D	SER70
D	VAL75
D	GLN111
D	GLU112
D	PHE113
D	ALA114
D	GLU119
D	ASN211
D	PRO212
D	VAL223
D	ASP224
D	CA303
D	HOH417
D	HOH433
D	HOH436
D	HOH440
D	HOH446

---

site_id	AE3
Number of Residues	6
Details	binding site for residue CA D 303

Chain	Residue
D	ASN211
D	ASP224
D	A12302
D	HOH411
D	HOH417
D	HOH431

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