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Summary Geometry Related PDB entries

G2H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.37Å
C1	O11	sing	1.43Å	1.14Å
C1	H11A	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.59Å
C2	O1P	sing	1.43Å	1.44Å
C2	H2	sing	1.09Å	1.11Å
C3	O31	sing	1.43Å	1.50Å
C3	H31A	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
P	O1P	sing	1.61Å	1.67Å
P	O2P	doub	1.48Å	1.55Å
P	O3P	sing	1.61Å	1.55Å
P	O4P	sing	1.61Å	1.57Å
O11	H11	sing	0.97Å	0.95Å
O31	H31	sing	0.97Å	0.95Å
O3P	H3P	sing	0.97Å	0.95Å
O4P	H4P	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O11	144.5°	109.5°
C2	C1	H11A	100.5°	109.4°
C2	C1	H12	100.5°	109.5°
C1	C2	C3	122.6°	109.5°
C1	C2	O1P	127.5°	109.4°
C1	C2	H2	18.6°	109.5°
O11	C1	H11A	100.4°	109.5°
O11	C1	H12	100.4°	109.6°
C1	O11	H11	144.5°	106.8°
H11A	C1	H12	106.8°	109.4°
C3	C2	O1P	109.9°	109.5°
C3	C2	H2	141.1°	109.5°
C2	C3	O31	130.9°	109.4°
C2	C3	H31A	104.8°	109.5°
C2	C3	H32	104.8°	109.4°
O1P	C2	H2	109.0°	109.4°
C2	O1P	P	126.2°	106.8°
O31	C3	H31A	104.8°	109.5°
O31	C3	H32	104.8°	109.5°
C3	O31	H31	130.9°	106.8°
H31A	C3	H32	104.3°	109.5°
O1P	P	O2P	106.7°	109.4°
O1P	P	O3P	108.2°	109.5°
O1P	P	O4P	107.0°	109.5°
O2P	P	O3P	110.9°	109.4°
O2P	P	O4P	111.9°	109.5°
O3P	P	O4P	111.8°	109.5°
P	O3P	H3P	108.2°	106.8°
P	O4P	H4P	107.0°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O11	H11A	125.3°	120.0°
C2	C1	O11	H12	125.3°	120.1°
C2	C1	H11A	H12	104.4°	119.9°
C1	C2	C3	O1P	179.7°	120.0°
C1	C2	C3	H2	2.7°	120.0°
C1	C2	O1P	H2	1.9°	119.9°
C1	C2	C3	O31	37.5°	60.0°
C1	C2	C3	H31A	87.8°	60.0°
C1	C2	C3	H32	162.8°	180.0°
C1	C2	O1P	P	57.4°	120.0°
C2	C1	O11	H11	180.0°	180.0°
O11	C1	H11A	H12	104.4°	120.1°
O11	C1	C2	C3	179.9°	179.9°
O11	C1	C2	O1P	0.2°	60.0°
O11	C1	C2	H2	5.4°	59.9°
H11A	C1	C2	C3	54.8°	59.9°
H11A	C1	C2	O1P	125.5°	180.0°
H11A	C1	C2	H2	119.8°	60.1°
H11A	C1	O11	H11	54.7°	60.0°
H12	C1	C2	C3	54.7°	59.9°
H12	C1	C2	O1P	125.0°	60.1°
H12	C1	C2	H2	130.7°	180.0°
H12	C1	O11	H11	54.7°	60.0°
C3	C2	O1P	H2	178.4°	120.0°
C2	C3	O31	H31A	125.3°	120.0°
C2	C3	O31	H32	125.3°	119.9°
C2	C3	H31A	H32	109.8°	120.0°
C3	C2	O1P	P	122.9°	120.0°
C2	C3	O31	H31	180.0°	179.9°
O1P	C2	C3	O31	142.2°	60.0°
O1P	C2	C3	H31A	92.5°	180.0°
O1P	C2	C3	H32	16.9°	60.0°
C2	O1P	P	O2P	142.7°	60.0°
C2	O1P	P	O3P	23.3°	180.0°
C2	O1P	P	O4P	97.3°	60.0°
H2	C2	C3	O31	40.2°	180.0°
H2	C2	C3	H31A	85.0°	60.0°
H2	C2	C3	H32	165.5°	60.0°
H2	C2	O1P	P	55.4°	0.0°
O31	C3	H31A	H32	109.8°	120.1°
H31A	C3	O31	H31	54.8°	60.1°
H32	C3	O31	H31	54.7°	60.0°
O1P	P	O2P	O3P	117.6°	120.0°
O1P	P	O2P	O4P	116.8°	120.0°
O1P	P	O3P	O4P	117.6°	120.0°
O1P	P	O3P	H3P	180.0°	180.0°
O1P	P	O4P	H4P	180.0°	60.0°
O2P	P	O3P	O4P	125.7°	120.0°
O2P	P	O3P	H3P	63.3°	60.1°
O2P	P	O4P	H4P	63.5°	180.0°
O3P	P	O4P	H4P	61.7°	60.0°
O4P	P	O3P	H3P	62.4°	60.0°

222415

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