Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4F7W

Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004594	molecular_function	pantothenate kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0015937	biological_process	coenzyme A biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016310	biological_process	phosphorylation
A	0016740	molecular_function	transferase activity
B	0000166	molecular_function	nucleotide binding
B	0004594	molecular_function	pantothenate kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0015937	biological_process	coenzyme A biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016310	biological_process	phosphorylation
B	0016740	molecular_function	transferase activity
C	0000166	molecular_function	nucleotide binding
C	0004594	molecular_function	pantothenate kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0015937	biological_process	coenzyme A biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016310	biological_process	phosphorylation
C	0016740	molecular_function	transferase activity
D	0000166	molecular_function	nucleotide binding
D	0004594	molecular_function	pantothenate kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0015937	biological_process	coenzyme A biosynthetic process
D	0016301	molecular_function	kinase activity
D	0016310	biological_process	phosphorylation
D	0016740	molecular_function	transferase activity
E	0000166	molecular_function	nucleotide binding
E	0004594	molecular_function	pantothenate kinase activity
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0015937	biological_process	coenzyme A biosynthetic process
E	0016301	molecular_function	kinase activity
E	0016310	biological_process	phosphorylation
E	0016740	molecular_function	transferase activity
F	0000166	molecular_function	nucleotide binding
F	0004594	molecular_function	pantothenate kinase activity
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0015937	biological_process	coenzyme A biosynthetic process
F	0016301	molecular_function	kinase activity
F	0016310	biological_process	phosphorylation
F	0016740	molecular_function	transferase activity
G	0000166	molecular_function	nucleotide binding
G	0004594	molecular_function	pantothenate kinase activity
G	0005524	molecular_function	ATP binding
G	0005737	cellular_component	cytoplasm
G	0015937	biological_process	coenzyme A biosynthetic process
G	0016301	molecular_function	kinase activity
G	0016310	biological_process	phosphorylation
G	0016740	molecular_function	transferase activity
H	0000166	molecular_function	nucleotide binding
H	0004594	molecular_function	pantothenate kinase activity
H	0005524	molecular_function	ATP binding
H	0005737	cellular_component	cytoplasm
H	0015937	biological_process	coenzyme A biosynthetic process
H	0016301	molecular_function	kinase activity
H	0016310	biological_process	phosphorylation
H	0016740	molecular_function	transferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADP A 1401

Chain	Residue
A	ASN1043
A	THR1103
A	ARG1243
A	LYS1303
A	HIS1307
A	HOH1516
A	HOH1521
A	HOH1537
A	HOH1550
A	HOH1560
A	HOH1568
A	ASP1045
A	HOH1610
A	LEU1046
A	SER1096
A	ALA1098
A	VAL1099
A	GLY1100
A	LYS1101
A	SER1102

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PN4 A 1402

Chain	Residue
A	ASP1127
A	LYS1145
A	GLY1146
A	HIS1177
A	TYR1180
A	TYR1240
A	TYR1258
A	PHE1259
A	TYR1262
A	ASN1282
A	HOH1521
A	HOH1545
A	HOH1566

site_id	AC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE ADP C 1401

Chain	Residue
C	ASN1043
C	ASP1045
C	TYR1055
C	SER1096
C	ALA1098
C	VAL1099
C	GLY1100
C	LYS1101
C	SER1102
C	THR1103
C	ARG1243
C	LYS1303
C	HIS1307
C	HOH1530
C	HOH1533
C	HOH1537
C	HOH1543
C	HOH1565
C	HOH1587
C	HOH1588
C	HOH1611
C	HOH1612

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PN4 C 1402

Chain	Residue
C	ASP1127
C	LYS1145
C	GLY1146
C	HIS1177
C	TYR1180
C	TYR1240
C	TYR1258
C	PHE1259
C	LEU1277
C	ASN1282
C	HOH1587
C	HOH1618

site_id	AC5
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP B 1401

Chain	Residue
B	ASN1043
B	ASP1045
B	LEU1046
B	SER1096
B	ALA1098
B	VAL1099
B	GLY1100
B	LYS1101
B	SER1102
B	THR1103
B	ARG1243
B	LYS1303
B	HIS1307
B	HOH1542
B	HOH1546
B	HOH1548
B	HOH1549
B	HOH1613
B	HOH1620

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PN4 B 1402

Chain	Residue
B	ASP1127
B	LYS1145
B	GLY1146
B	HIS1177
B	TYR1180
B	TYR1240
B	TYR1258
B	PHE1259
B	TYR1262
B	ASN1282
B	HOH1524
B	HOH1548
B	HOH1574

site_id	AC7
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP D 1401

Chain	Residue
D	ASN1043
D	ASP1045
D	TYR1055
D	SER1096
D	ALA1098
D	VAL1099
D	GLY1100
D	LYS1101
D	SER1102
D	THR1103
D	ARG1243
D	LYS1303
D	HIS1307
D	HOH1505
D	HOH1534
D	HOH1544
D	HOH1545
D	HOH1546
D	HOH1565
D	HOH1566
D	HOH1611
D	HOH1635
D	HOH1636

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PN4 D 1402

Chain	Residue
D	ASP1127
D	GLY1146
D	HIS1177
D	TYR1180
D	TYR1240
D	TYR1258
D	ASN1282
D	HOH1548
D	HOH1565
D	HOH1568

site_id	AC9
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ADP E 1401

Chain	Residue
E	ASN1043
E	ASP1045
E	LEU1046
E	SER1096
E	ALA1098
E	VAL1099
E	GLY1100
E	LYS1101
E	SER1102
E	THR1103
E	ARG1243
E	LYS1303
E	HIS1307
E	HOH1511
E	HOH1579
E	HOH1581

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PN4 E 1402

Chain	Residue
E	ASP1127
E	LYS1145
E	GLY1146
E	TYR1180
E	TYR1240
E	PHE1244
E	PHE1259
E	ILE1281
E	ASN1282
E	HOH1572

site_id	BC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADP F 1401

Chain	Residue
F	ASN1043
F	ASP1045
F	TYR1055
F	SER1096
F	ALA1098
F	VAL1099
F	GLY1100
F	LYS1101
F	SER1102
F	THR1103
F	ARG1243
F	LYS1303
F	HIS1307
F	HOH1513
F	HOH1523
F	HOH1524
F	HOH1561
F	HOH1583
F	HOH1605
F	HOH1606
F	HOH1607

site_id	BC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PN4 F 1402

Chain	Residue
F	ASP1127
F	LYS1145
F	GLY1146
F	HIS1177
F	TYR1180
F	TYR1240
F	TYR1258
F	PHE1259
F	TYR1262
F	ASN1282
F	HOH1560
F	HOH1581
F	HOH1605

site_id	BC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP G 1401

Chain	Residue
G	ASN1043
G	ASP1045
G	TYR1055
G	SER1096
G	ALA1098
G	VAL1099
G	GLY1100
G	LYS1101
G	SER1102
G	THR1103
G	ARG1243
G	LYS1303
G	HIS1307
G	HOH1546
G	HOH1549
G	HOH1551
G	HOH1561
G	HOH1620
G	HOH1621

site_id	BC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PN4 G 1402

Chain	Residue
G	ASP1127
G	LYS1145
G	GLY1146
G	HIS1177
G	TYR1180
G	TYR1240
G	TYR1262
G	ASN1282
G	HOH1549
G	HOH1552
G	HOH1564
G	HOH1622
H	THR1253

site_id	BC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ADP H 1401

Chain	Residue
H	ASN1043
H	ASP1045
H	SER1096
H	ALA1098
H	VAL1099
H	GLY1100
H	LYS1101
H	SER1102
H	THR1103
H	ARG1243
H	LYS1303
H	HIS1307
H	HOH1502
H	HOH1563
H	HOH1567
H	HOH1582

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255\|HAMAP-Rule:MF_00215

Chain	Residue	Details
A	GLY1095
C	GLY1095
B	GLY1095
D	GLY1095
E	GLY1095
F	GLY1095
G	GLY1095
H	GLY1095

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)