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Summary Geometry Related PDB entries

UQV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.48Å
O	C1	doub	1.21Å	1.21Å
C1	N	sing	1.35Å	1.43Å
N	C2	sing	1.40Å	1.43Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.40Å	Aromatic
C2	C7	doub	1.39Å	1.44Å	Aromatic
C7	C8	sing	1.51Å	1.50Å
C8	C9	sing	1.51Å	1.49Å
C9	O1	doub	1.21Å	1.22Å
O2	C9	sing	1.34Å	1.34Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C8	H9	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
N	H3	sing	0.97Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
O2	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	117.0°	120.0°
C	C1	N	122.1°	120.0°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.4°
C1	C	H2	109.4°	109.5°
O	C1	N	120.4°	120.0°
C1	N	C2	127.6°	120.0°
C1	N	H3	116.2°	120.0°
N	C2	C3	112.9°	120.0°
N	C2	C7	127.3°	120.1°
C2	N	H3	116.2°	120.0°
C2	C3	C4	120.5°	119.9°
C3	C2	C7	119.7°	119.9°
C2	C3	H4	119.7°	120.0°
C3	C4	C5	120.1°	120.1°
C3	C4	H5	120.0°	119.9°
C4	C3	H4	119.7°	120.1°
C4	C5	C6	120.7°	120.1°
C5	C4	H5	119.9°	120.0°
C4	C5	H6	119.7°	119.9°
C5	C6	C7	121.5°	120.1°
C6	C5	H6	119.7°	120.0°
C5	C6	H7	119.2°	119.9°
C6	C7	C2	117.5°	119.9°
C6	C7	C8	121.0°	120.1°
C7	C6	H7	119.3°	119.9°
C2	C7	C8	121.5°	120.0°
C7	C8	C9	119.7°	109.5°
C7	C8	H9	106.9°	109.4°
C7	C8	H8	106.8°	109.5°
C8	C9	O1	124.6°	120.0°
C8	C9	O2	116.5°	120.0°
C9	C8	H9	106.8°	109.5°
C9	C8	H8	106.8°	109.4°
O1	C9	O2	118.9°	120.0°
C9	O2	H10	109.5°	117.0°
H9	C8	H8	109.5°	109.5°
H1	C	H	109.4°	109.5°
H1	C	H2	109.5°	109.5°
H	C	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	N	172.1°	180.0°
C	C1	N	C2	11.7°	175.5°
C	C1	N	H3	168.3°	4.5°
C1	C	H1	H	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
O	C1	N	C2	160.0°	4.5°
O	C1	N	H3	20.1°	175.5°
O	C1	C	H1	0.0°	90.0°
O	C1	C	H	120.0°	150.0°
O	C1	C	H2	120.0°	30.0°
C1	N	C2	H3	180.0°	179.9°
C1	N	C2	C3	127.3°	34.8°
C1	N	C2	C7	48.8°	144.7°
N	C1	C	H1	171.9°	89.9°
N	C1	C	H	52.0°	30.0°
N	C1	C	H2	68.0°	150.0°
N	C2	C3	C7	176.4°	179.5°
N	C2	C3	C4	176.2°	180.0°
N	C2	C7	C6	174.5°	179.7°
N	C2	C7	C8	4.8°	0.3°
N	C2	C3	H4	3.8°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.7°	0.6°
C3	C2	C7	C6	1.3°	0.3°
C3	C2	C7	C8	179.3°	179.7°
C2	C3	C4	H5	179.3°	179.7°
C3	C2	N	H3	52.7°	145.3°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	C6	0.5°	0.3°
C4	C3	C2	C7	0.2°	0.5°
C3	C4	C5	H6	179.5°	179.7°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C7	0.7°	0.0°
C4	C5	C6	H7	179.3°	179.9°
C5	C4	C3	H4	179.3°	179.4°
C5	C6	C7	H7	180.0°	180.0°
C5	C6	C7	C2	1.5°	0.0°
C5	C6	C7	C8	179.1°	180.0°
C6	C5	C4	H5	179.5°	180.0°
C6	C7	C2	C8	179.4°	180.0°
C6	C7	C8	C9	35.0°	95.0°
C7	C6	C5	H6	179.4°	180.0°
C6	C7	C8	H9	156.5°	25.0°
C6	C7	C8	H8	86.4°	145.0°
C2	C7	C8	C9	145.6°	85.0°
C2	C7	C6	H7	178.4°	180.0°
C2	C7	C8	H9	24.2°	155.0°
C2	C7	C8	H8	93.0°	35.0°
C7	C2	N	H3	131.2°	35.2°
C7	C2	C3	H4	179.8°	179.5°
C7	C8	C9	H9	121.5°	120.0°
C7	C8	C9	H8	121.4°	120.0°
C7	C8	C9	O1	174.1°	0.0°
C7	C8	C9	O2	5.6°	180.0°
C8	C7	C6	H7	0.9°	0.0°
C7	C8	H9	H8	115.4°	120.0°
C8	C9	O1	O2	179.7°	180.0°
C9	C8	H9	H8	115.4°	120.0°
C8	C9	O2	H10	179.7°	180.0°
O1	C9	C8	H9	64.5°	120.0°
O1	C9	C8	H8	52.6°	120.0°
O1	C9	O2	H10	0.0°	0.1°
O2	C9	C8	H9	115.8°	60.0°
O2	C9	C8	H8	127.1°	60.0°
H5	C4	C5	H6	0.6°	0.0°
H5	C4	C3	H4	0.8°	0.2°
H6	C5	C6	H7	0.7°	0.0°
H1	C	H	H2	120.0°	120.1°

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PDB entries from 2024-07-17

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