scPDB - 1qd1 entry

Protein Data Bank Entry:

PDB ID : 1qd1

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 1999-07-08

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Formimidoyltransferase-cyclodeaminase
ID:	FTCD_PIG
AC:	P53603
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	2.1.2.5

Chains:

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

Ligand binding site composition:

B-Factor:	18.922
Number of residues:	47
Including
Standard Amino Acids:	42
Non Standard Amino Acids:	0
Water Molecules:	5
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.120	324.000

% Hydrophobic	% Polar
40.63	59.38
According to VolSite

Ligand :

HET Code:	FON
Formula:	C20H21N7O7
Molecular weight:	471.423 g/mol
DrugBank ID:	DB03256
Buried Surface Area:	70.28 %
Polar Surface area:	221.2 Å2

Number of
H-Bond Acceptors:	12
H-Bond Donors:	5
Rings:	3
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
-0.697559	30.3651	40.3736

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
N	OD1	ASN- 10	3.23	138.33	H-Bond (Ligand Donor)	false
N8	OD2	ASP- 39	3.78	0	Ionic (Ligand Cationic)	false
N8	O	SER- 40	3.32	131.4	H-Bond (Ligand Donor)	false
C9	CB	THR- 44	3.76	0	Hydrophobic	false
O2	CZ	ARG- 46	3.77	0	Ionic (Protein Cationic)	false
C13	CD	ARG- 46	3.25	0	Hydrophobic	false
C13	CG2	VAL- 48	3.3	0	Hydrophobic	false
OE1	OH	TYR- 126	2.64	141.88	H-Bond (Protein Donor)	false
CG	CD2	LEU- 138	4.49	0	Hydrophobic	false
O1	CZ	ARG- 142	3.98	0	Ionic (Protein Cationic)	false
O2	CZ	ARG- 142	3.99	0	Ionic (Protein Cationic)	false
O1	NH2	ARG- 142	3.07	173.37	H-Bond (Protein Donor)	false
O2	NH1	ARG- 142	3.26	171.27	H-Bond (Protein Donor)	false
OE1	NE	ARG- 179	3.04	147.31	H-Bond (Protein Donor)	false
OE2	NH2	ARG- 179	2.86	157.79	H-Bond (Protein Donor)	false
OE2	NE	ARG- 179	3.24	139.48	H-Bond (Protein Donor)	false
OE1	CZ	ARG- 179	3.98	0	Ionic (Protein Cationic)	false
OE2	CZ	ARG- 179	3.48	0	Ionic (Protein Cationic)	false
CG	CD1	LEU- 182	3.73	0	Hydrophobic	false
N3	OE2	GLU- 228	3.2	153.96	H-Bond (Ligand Donor)	false
O1	ND2	ASN- 237	3.17	146.01	H-Bond (Protein Donor)	false
O3	OE1	GLN- 268	2.78	137.96	H-Bond (Ligand Donor)	false
C15	CG2	VAL- 270	4.43	0	Hydrophobic	false
OE2	O	HOH- 807	2.76	157.53	H-Bond (Protein Donor)	false