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Summary Geometry Related PDB entries

V33

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C8	doub	1.21Å	1.23Å
C	O	sing	1.43Å	1.40Å
O	C1	sing	1.36Å	1.37Å
C8	O2	sing	1.34Å	1.23Å
C8	C7	sing	1.51Å	1.57Å
C1	C6	doub	1.39Å	1.37Å	Aromatic
C1	C2	sing	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C5	C7	sing	1.51Å	1.48Å
C5	C4	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
O2	H7	sing	0.97Å	0.95Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C8	O2	125.9°	120.0°
O1	C8	C7	117.0°	120.0°
C	O	C1	114.1°	117.0°
O	C	H8	109.5°	109.5°
O	C	H9	109.5°	109.4°
O	C	H10	109.5°	109.5°
O	C1	C6	120.6°	120.0°
O	C1	C2	117.8°	120.1°
O2	C8	C7	117.1°	120.0°
C8	O2	H7	109.5°	117.0°
C8	C7	C5	110.9°	109.5°
C8	C7	H1	109.1°	109.5°
C8	C7	H2	109.1°	109.5°
C6	C1	C2	121.6°	119.9°
C1	C6	C5	119.5°	119.9°
C1	C6	H3	120.2°	120.0°
C1	C2	C3	118.4°	119.9°
C1	C2	H6	120.8°	120.0°
C6	C5	C7	121.6°	120.0°
C6	C5	C4	119.8°	120.1°
C5	C6	H3	120.3°	120.1°
C2	C3	C4	120.9°	120.1°
C2	C3	H5	119.5°	120.0°
C3	C2	H6	120.8°	120.0°
C7	C5	C4	118.6°	119.9°
C5	C7	H1	109.1°	109.5°
C5	C7	H2	109.1°	109.5°
C5	C4	C3	119.8°	120.1°
C5	C4	H4	120.1°	119.9°
C3	C4	H4	120.1°	120.0°
C4	C3	H5	119.6°	120.0°
H1	C7	H2	109.5°	109.5°
H8	C	H9	109.5°	109.4°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C8	O2	C7	178.9°	180.0°
O1	C8	C7	C5	97.5°	0.0°
O1	C8	C7	H1	22.7°	120.0°
O1	C8	C7	H2	142.3°	120.0°
O1	C8	O2	H7	0.0°	0.1°
C	O	C1	C6	5.3°	180.0°
C	O	C1	C2	174.1°	0.3°
O	C	H8	H9	120.0°	120.0°
O	C	H8	H10	120.0°	120.0°
O	C	H9	H10	120.0°	120.0°
O	C1	C6	C2	179.4°	179.7°
O	C1	C6	C5	179.1°	179.7°
O	C1	C2	C3	179.3°	179.7°
O	C1	C6	H3	0.9°	0.3°
O	C1	C2	H6	0.7°	0.3°
C1	O	C	H8	180.0°	60.0°
C1	O	C	H9	60.0°	60.0°
C1	O	C	H10	60.0°	180.0°
O2	C8	C7	C5	83.5°	180.0°
O2	C8	C7	H1	156.3°	60.0°
O2	C8	C7	H2	36.8°	60.0°
C8	C7	C5	C6	99.7°	90.0°
C8	C7	C5	H1	120.2°	120.0°
C8	C7	C5	H2	120.2°	120.0°
C8	C7	C5	C4	80.8°	90.0°
C8	C7	H1	H2	119.3°	120.0°
C7	C8	O2	H7	178.9°	179.9°
C1	C6	C5	H3	180.0°	179.9°
C6	C1	C2	C3	0.1°	0.0°
C1	C6	C5	C7	179.7°	180.0°
C1	C6	C5	C4	0.2°	0.0°
C6	C1	C2	H6	179.9°	180.0°
C2	C1	C6	C5	0.2°	0.0°
C1	C2	C3	H6	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C6	H3	179.7°	180.0°
C1	C2	C3	H5	179.9°	180.0°
C6	C5	C7	C4	179.5°	180.0°
C6	C5	C4	C3	0.0°	0.0°
C6	C5	C7	H1	20.5°	150.0°
C6	C5	C7	H2	140.1°	30.0°
C6	C5	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C4	H5	180.0°	180.0°
C2	C3	C4	H4	179.8°	180.0°
C7	C5	C4	C3	179.5°	180.0°
C5	C7	H1	H2	119.4°	120.0°
C7	C5	C6	H3	0.3°	0.1°
C7	C5	C4	H4	0.5°	0.0°
C5	C4	C3	H4	180.0°	180.0°
C4	C5	C7	H1	159.0°	30.0°
C4	C5	C7	H2	39.4°	150.0°
C4	C5	C6	H3	179.8°	180.0°
C5	C4	C3	H5	179.9°	180.0°
C4	C3	C2	H6	179.9°	180.0°
H4	C4	C3	H5	0.2°	0.0°
H5	C3	C2	H6	0.1°	0.0°
H8	C	H9	H10	120.0°	120.0°

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