6NO5

ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
A	0006099	biological_process	tricarboxylic acid cycle
B	0005524	molecular_function	ATP binding
B	0006099	biological_process	tricarboxylic acid cycle
C	0005524	molecular_function	ATP binding
C	0006099	biological_process	tricarboxylic acid cycle
D	0005524	molecular_function	ATP binding
D	0006099	biological_process	tricarboxylic acid cycle

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue ADP A 301

Chain	Residue
A	GLN20
A	ILE115
A	GLU118
A	ASN210
A	PRO211
A	LEU227
A	ASP228
A	MG302
A	HOH427
A	HOH438
A	HOH443
A	VAL48
A	HOH466
A	HOH467
A	LYS50
A	GLY57
A	ARG58
A	GLY59
A	GLY111
A	ALA112
A	VAL113

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 302

Chain	Residue
A	ASN210
A	ASP228
A	ADP301
A	HOH427
A	HOH498

---

site_id	AC3
Number of Residues	17
Details	binding site for residue ADP B 301

Chain	Residue
B	GLN20
B	VAL48
B	LYS50
B	GLY57
B	ARG58
B	GLY59
B	GLY111
B	VAL113
B	ILE115
B	GLU118
B	ASN210
B	PRO211
B	LEU227
B	ASP228
B	MG302
B	HOH416
B	HOH451

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG B 302

Chain	Residue
B	ASN210
B	ASP228
B	ADP301
B	HOH416
B	HOH473

---

site_id	AC5
Number of Residues	5
Details	binding site for residue NH4 B 303

Chain	Residue
A	ASP114
A	GLU216
A	ASP220
B	PRO218
B	ASP220

---

site_id	AC6
Number of Residues	6
Details	binding site for residue NH4 B 304

Chain	Residue
A	PRO218
A	ASP220
B	ASP114
B	GLU216
B	THR217
B	ASP220

---

site_id	AC7
Number of Residues	23
Details	binding site for residue ADP C 301

Chain	Residue
C	GLN20
C	VAL48
C	LYS50
C	GLY57
C	ARG58
C	GLY59
C	VAL71
C	GLY111
C	ALA112
C	VAL113
C	ILE115
C	GLU118
C	ASN210
C	PRO211
C	LEU227
C	ASP228
C	MG302
C	HOH423
C	HOH431
C	HOH432
C	HOH440
C	HOH443
C	HOH468

---

site_id	AC8
Number of Residues	5
Details	binding site for residue MG C 302

Chain	Residue
C	ASN210
C	ASP228
C	ADP301
C	HOH423
C	HOH468

---

site_id	AC9
Number of Residues	7
Details	binding site for residue NH4 C 303

Chain	Residue
C	ASP114
C	GLU216
C	THR217
C	ASP220
D	PRO218
D	ASP220
D	NH4303

---

site_id	AD1
Number of Residues	24
Details	binding site for residue ADP D 301

Chain	Residue
D	GLY59
D	VAL71
D	GLY111
D	ALA112
D	VAL113
D	ILE115
D	GLU118
D	ASN210
D	PRO211
D	LEU227
D	ASP228
D	MG302
D	HOH412
D	HOH421
D	HOH451
D	HOH456
D	HOH457
D	HOH461
D	HOH463
D	GLN20
D	VAL48
D	LYS50
D	GLY57
D	ARG58

---

site_id	AD2
Number of Residues	5
Details	binding site for residue MG D 302

Chain	Residue
D	ASN210
D	ASP228
D	ADP301
D	HOH412
D	HOH461

---

site_id	AD3
Number of Residues	7
Details	binding site for residue NH4 D 303

Chain	Residue
C	PRO218
C	ASP220
C	NH4303
D	ASP114
D	GLU216
D	THR217
D	ASP220

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03219

Chain	Residue	Details
A	LYS50
B	ASP228
C	LYS50
C	GLY57
C	GLU118
C	ASN210
C	ASP228
D	LYS50
D	GLY57
D	GLU118
D	ASN210
A	GLY57
D	ASP228
A	GLU118
A	ASN210
A	ASP228
B	LYS50
B	GLY57
B	GLU118
B	ASN210

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	SITE: Important for substrate specificity => ECO:0000305|PubMed:18452512

Chain	Residue	Details
A	GLU46
A	ASP114
B	GLU46
B	ASP114
C	GLU46
C	ASP114
D	GLU46
D	ASP114

---