scPDB - 2bmb entry

Protein Data Bank Entry:

PDB ID : 2bmb

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2005-03-11

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Folic acid synthesis protein FOL1
ID:	FOL1_YEAST
AC:	P53848
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	33.435
Number of residues:	30
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.586	806.625

% Hydrophobic	% Polar
44.35	55.65
According to VolSite

Ligand :

HET Code:	PMM
Formula:	C7H6N5O5P
Molecular weight:	271.127 g/mol
DrugBank ID:	DB03592
Buried Surface Area:	68.67 %
Polar Surface area:	175.48 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	2
Rings:	2
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
4.324	20.7172	55.9495

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
O1P	CZ	ARG- 598	3.94	0	Ionic (Protein Cationic)	false
O1P	NE	ARG- 598	3.13	164.62	H-Bond (Protein Donor)	false
O3P	NH2	ARG- 598	3.1	168.39	H-Bond (Protein Donor)	false
N1	ND2	ASN- 655	3.21	161.42	H-Bond (Protein Donor)	false
N2	OD1	ASN- 655	2.8	168.33	H-Bond (Ligand Donor)	false
N2	OD2	ASP- 755	2.84	136.76	H-Bond (Ligand Donor)	false
N3	OD2	ASP- 755	2.66	148.17	H-Bond (Ligand Donor)	false
C9	CZ	PHE- 760	4.25	0	Hydrophobic	false
N5	NZ	LYS- 807	3.03	173.45	H-Bond (Protein Donor)	false
O2P	CZ	ARG- 842	3.78	0	Ionic (Protein Cationic)	false
O2P	NH2	ARG- 842	3.46	143.75	H-Bond (Protein Donor)	false
O2P	NH1	ARG- 842	3.19	160.35	H-Bond (Protein Donor)	false
DuAr	CZ	ARG- 842	3.68	156.31	Pi/Cation	false
O4	O	HOH- 2097	2.78	171.54	H-Bond (Protein Donor)	false