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Summary Geometry Related PDB entries

4NP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1	sing	1.61Å	1.67Å
P	O2	doub	1.48Å	1.51Å
P	O3	sing	1.61Å	1.52Å
P	O4	sing	1.61Å	1.50Å
O1	C1	sing	1.36Å	1.37Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C1	C2	doub	1.39Å	1.41Å	Aromatic
C1	C6	sing	1.39Å	1.43Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C2	H21	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C3	H31	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	N	sing	1.48Å	1.49Å
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	H51	sing	1.08Å	1.10Å
C6	H61	sing	1.08Å	1.10Å
N	O5	sing	1.22Å	1.21Å
N	O6	doub	1.22Å	1.22Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	P	O2	101.9°	109.5°
O1	P	O3	106.5°	109.5°
O1	P	O4	104.3°	109.5°
P	O1	C1	126.8°	106.9°
O2	P	O3	116.4°	109.5°
O2	P	O4	114.2°	109.4°
O3	P	O4	111.9°	109.5°
P	O3	HO3	106.5°	106.8°
P	O4	HO4	104.3°	106.8°
O1	C1	C2	120.1°	120.1°
O1	C1	C6	120.5°	120.0°
C2	C1	C6	119.4°	119.9°
C1	C2	C3	120.0°	119.9°
C1	C2	H21	120.4°	120.0°
C1	C6	C5	120.0°	119.9°
C1	C6	H61	120.9°	120.1°
C3	C2	H21	119.6°	120.0°
C2	C3	C4	119.8°	120.0°
C2	C3	H31	120.2°	120.0°
C4	C3	H31	120.0°	120.0°
C3	C4	C5	121.6°	120.1°
C3	C4	N	119.0°	119.9°
C5	C4	N	119.4°	119.9°
C4	C5	C6	119.1°	120.1°
C4	C5	H51	120.2°	120.0°
C4	N	O5	117.6°	120.0°
C4	N	O6	118.3°	120.0°
C6	C5	H51	120.7°	120.0°
C5	C6	H61	119.1°	120.0°
O5	N	O6	124.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	P	O2	O3	115.4°	120.1°
O1	P	O2	O4	111.8°	120.0°
O1	P	O3	O4	113.4°	120.0°
O1	P	O3	HO3	180.0°	180.0°
O1	P	O4	HO4	180.0°	60.0°
P	O1	C1	C2	37.9°	90.2°
P	O1	C1	C6	141.8°	90.0°
O2	P	O3	O4	133.8°	119.9°
O2	P	O1	C1	156.2°	55.0°
O2	P	O3	HO3	67.2°	60.0°
O2	P	O4	HO4	69.6°	180.0°
O3	P	O1	C1	33.8°	175.0°
O3	P	O4	HO4	65.2°	60.0°
O4	P	O1	C1	84.7°	64.9°
O4	P	O3	HO3	66.6°	59.9°
O1	C1	C2	C6	179.7°	179.8°
O1	C1	C2	C3	179.2°	179.7°
O1	C1	C2	H21	0.8°	0.2°
O1	C1	C6	C5	179.3°	180.0°
O1	C1	C6	H61	0.7°	0.0°
C1	C2	C3	H21	180.0°	179.5°
C1	C2	C3	C4	0.2°	0.5°
C1	C2	C3	H31	179.7°	179.8°
C2	C1	C6	C5	0.4°	0.2°
C2	C1	C6	H61	179.6°	179.8°
C6	C1	C2	C3	0.5°	0.5°
C6	C1	C2	H21	179.5°	180.0°
C1	C6	C5	C4	0.1°	0.1°
C1	C6	C5	H61	180.0°	180.0°
C1	C6	C5	H51	179.9°	180.0°
C2	C3	C4	H31	180.0°	179.7°
C2	C3	C4	C5	0.3°	0.3°
C2	C3	C4	N	179.5°	179.7°
H21	C2	C3	C4	179.8°	180.0°
H21	C2	C3	H31	0.2°	0.3°
C3	C4	C5	N	179.8°	180.0°
C3	C4	C5	C6	0.5°	0.0°
C3	C4	C5	H51	179.5°	180.0°
C3	C4	N	O5	162.6°	179.9°
C3	C4	N	O6	18.4°	0.0°
H31	C3	C4	C5	179.8°	180.0°
H31	C3	C4	N	0.5°	0.0°
C4	C5	C6	H51	180.0°	180.0°
C4	C5	C6	H61	179.9°	180.0°
C5	C4	N	O5	17.7°	0.1°
C5	C4	N	O6	161.4°	180.0°
N	C4	C5	C6	179.3°	180.0°
N	C4	C5	H51	0.7°	0.0°
C4	N	O5	O6	179.0°	179.9°
H51	C5	C6	H61	0.1°	0.0°

218853

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