4DZ6

Transition state mimic of nucleoside-diphosphate kinase from borrelia burgdorferi with bound vanadate and adp

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004550	molecular_function	nucleoside diphosphate kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006183	biological_process	GTP biosynthetic process
A	0006228	biological_process	UTP biosynthetic process
A	0006241	biological_process	CTP biosynthetic process
A	0009117	biological_process	nucleotide metabolic process
A	0016301	molecular_function	kinase activity
A	0046872	molecular_function	metal ion binding
B	0004550	molecular_function	nucleoside diphosphate kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006183	biological_process	GTP biosynthetic process
B	0006228	biological_process	UTP biosynthetic process
B	0006241	biological_process	CTP biosynthetic process
B	0009117	biological_process	nucleotide metabolic process
B	0016301	molecular_function	kinase activity
B	0046872	molecular_function	metal ion binding
C	0004550	molecular_function	nucleoside diphosphate kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006183	biological_process	GTP biosynthetic process
C	0006228	biological_process	UTP biosynthetic process
C	0006241	biological_process	CTP biosynthetic process
C	0009117	biological_process	nucleotide metabolic process
C	0016301	molecular_function	kinase activity
C	0046872	molecular_function	metal ion binding
D	0004550	molecular_function	nucleoside diphosphate kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006183	biological_process	GTP biosynthetic process
D	0006228	biological_process	UTP biosynthetic process
D	0006241	biological_process	CTP biosynthetic process
D	0009117	biological_process	nucleotide metabolic process
D	0016301	molecular_function	kinase activity
D	0046872	molecular_function	metal ion binding
E	0004550	molecular_function	nucleoside diphosphate kinase activity
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006183	biological_process	GTP biosynthetic process
E	0006228	biological_process	UTP biosynthetic process
E	0006241	biological_process	CTP biosynthetic process
E	0009117	biological_process	nucleotide metabolic process
E	0016301	molecular_function	kinase activity
E	0046872	molecular_function	metal ion binding
F	0004550	molecular_function	nucleoside diphosphate kinase activity
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006183	biological_process	GTP biosynthetic process
F	0006228	biological_process	UTP biosynthetic process
F	0006241	biological_process	CTP biosynthetic process
F	0009117	biological_process	nucleotide metabolic process
F	0016301	molecular_function	kinase activity
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ADP A 1001

Chain	Residue
A	LYS13
A	ILE129
A	ASN131
A	VN41002
A	HOH1107
A	ARG61
A	HIS62
A	LEU70
A	ARG94
A	THR100
A	ARG111
A	PHE119
A	SER122

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE VN4 A 1002

Chain	Residue
A	LYS13
A	TYR53
A	ARG94
A	ARG111
A	HIS134
A	ALA135
A	ADP1001

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1003

Chain	Residue
A	LYS40
A	ILE148
A	TRP149

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VO4 B 201

Chain	Residue
B	LYS13
B	TYR53
B	ARG94
B	ARG111
B	HIS134
B	ALA135

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 202

Chain	Residue
A	ASP162
A	HOH1114
B	ARG19
C	ARG19
E	ASP162
E	HOH328

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ADP C 1001

Chain	Residue
C	LYS13
C	ARG61
C	HIS62
C	LEU70
C	ARG94
C	THR100
C	ARG111
C	PHE119
C	SER122
C	SER128
C	ILE129
C	ASN131
C	VN41002

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE VN4 C 1002

Chain	Residue
C	LYS13
C	TYR53
C	ARG94
C	ARG111
C	HIS134
C	ALA135
C	ADP1001

---

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ADP D 1001

Chain	Residue
D	LYS13
D	ARG61
D	HIS62
D	LEU70
D	ARG94
D	THR100
D	ARG111
D	PHE119
D	SER122
D	ASN123
D	SER128
D	ILE129
D	ASN131
D	VN41002

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VN4 D 1002

Chain	Residue
D	LYS13
D	TYR53
D	ARG111
D	HIS134
D	ALA135
D	ADP1001

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VO4 E 201

Chain	Residue
E	LYS13
E	TYR53
E	ARG94
E	ARG111
E	HIS134
E	ALA135

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VO4 F 201

Chain	Residue
F	LYS13
F	TYR53
F	ARG94
F	ARG111
F	HIS134
F	ALA135

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Pros-phosphohistidine intermediate => ECO:0000250

Chain	Residue	Details
A	HIS134
B	HIS134
C	HIS134
D	HIS134
E	HIS134
F	HIS134

---

site_id	SWS_FT_FI2
Number of Residues	30
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	LYS13
B	ASN131
C	LYS13
C	ARG94
C	THR100
C	ARG111
C	ASN131
D	LYS13
D	ARG94
D	THR100
D	ARG111
A	ARG94
D	ASN131
E	LYS13
E	ARG94
E	THR100
E	ARG111
E	ASN131
F	LYS13
F	ARG94
F	THR100
F	ARG111
A	THR100
F	ASN131
A	ARG111
A	ASN131
B	LYS13
B	ARG94
B	THR100
B	ARG111

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