scPDB - 2ok7 entry

Protein Data Bank Entry:

PDB ID : 2ok7

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2007-01-16

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Ferredoxin--NADP reductase, apicoplast
ID:	C6KT68_PLAF7
AC:	C6KT68
Organism:	Plasmodium falciparum
Reign:	Eukaryota
TaxID:	36329
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
E	81 %
F	19 %

Ligand binding site composition:

B-Factor:	21.567
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.436	806.625

% Hydrophobic	% Polar
47.70	52.30
According to VolSite

Ligand :

HET Code:	A2P
Formula:	C10H11N5O10P2
Molecular weight:	423.169 g/mol
DrugBank ID:	DB02098
Buried Surface Area:	59.71 %
Polar Surface area:	263.53 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	2
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
3.18019	1.45911	-5.87689

Binding mode :

What is Poseview ?

2D View
3D View

Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
O4P	NZ	LYS- 119	3.99	0	Ionic (Protein Cationic)	false
O5P	NZ	LYS- 119	2.7	0	Ionic (Protein Cationic)	false
O6P	NZ	LYS- 119	3.54	0	Ionic (Protein Cationic)	false
C5'	CB	THR- 178	4.15	0	Hydrophobic	false
O3P	OG	SER- 247	2.74	123.75	H-Bond (Protein Donor)	false
O2'	OG	SER- 247	3.11	156.14	H-Bond (Protein Donor)	false
C2'	CB	SER- 247	4.49	0	Hydrophobic	false
O1P	OH	TYR- 258	2.84	167.67	H-Bond (Protein Donor)	false
DuAr	DuAr	TYR- 258	3.83	0	Aromatic Face/Face	false
C1'	CE2	TYR- 258	3.76	0	Hydrophobic	false
N1	NE2	GLN- 260	3.17	146.99	H-Bond (Protein Donor)	false
O2P	NZ	LYS- 287	2.83	159.16	H-Bond (Protein Donor)	false
O4P	NZ	LYS- 287	2.9	153.94	H-Bond (Protein Donor)	false
O5P	NZ	LYS- 287	3.21	130.42	H-Bond (Protein Donor)	false
O2P	NZ	LYS- 287	2.83	0	Ionic (Protein Cationic)	false
O4P	NZ	LYS- 287	2.9	0	Ionic (Protein Cationic)	false
O5P	NZ	LYS- 287	3.21	0	Ionic (Protein Cationic)	false
O2P	OG	SER- 288	3.1	158.87	H-Bond (Protein Donor)	false
N6	OG	SER- 288	2.76	134.44	H-Bond (Ligand Donor)	false