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Summary Geometry Related PDB entries

VW3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C5	doub	1.38Å	1.37Å	Aromatic
C	C1	sing	1.38Å	1.37Å	Aromatic
C5	C4	sing	1.38Å	1.37Å	Aromatic
C1	C2	doub	1.38Å	1.36Å	Aromatic
C4	C3	doub	1.39Å	1.36Å	Aromatic
C2	C3	sing	1.39Å	1.37Å	Aromatic
C3	O	sing	1.36Å	1.34Å
O	C6	sing	1.43Å	1.39Å
C6	C7	sing	1.53Å	1.54Å
C7	C8	sing	1.51Å	1.52Å
N	C8	sing	1.35Å	1.43Å
N	O2	sing	1.42Å	1.35Å
C8	O1	doub	1.21Å	1.23Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å
O2	H10	sing	0.97Å	0.95Å
C	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C	C1	120.0°	120.1°
C	C5	C4	120.8°	120.0°
C	C5	H4	119.6°	120.0°
C5	C	H11	120.0°	119.9°
C	C1	C2	120.0°	120.1°
C	C1	H3	120.0°	119.9°
C1	C	H11	120.0°	119.9°
C5	C4	C3	117.9°	119.9°
C4	C5	H4	119.6°	120.0°
C5	C4	H7	121.0°	120.0°
C1	C2	C3	118.8°	119.9°
C2	C1	H3	120.0°	120.0°
C1	C2	H8	120.6°	120.1°
C4	C3	C2	122.5°	119.9°
C4	C3	O	121.3°	120.0°
C3	C4	H7	121.0°	120.1°
C2	C3	O	116.2°	120.1°
C3	C2	H8	120.6°	120.0°
C3	O	C6	113.8°	117.0°
O	C6	C7	105.3°	109.5°
O	C6	H5	110.5°	109.5°
O	C6	H6	110.5°	109.5°
C6	C7	C8	111.1°	109.5°
C6	C7	H1	109.0°	109.4°
C6	C7	H2	109.1°	109.5°
C7	C6	H5	110.5°	109.4°
C7	C6	H6	110.5°	109.5°
C7	C8	N	115.1°	120.0°
C7	C8	O1	124.6°	120.0°
C8	C7	H1	109.1°	109.5°
C8	C7	H2	109.1°	109.5°
C8	N	O2	114.8°	120.0°
N	C8	O1	120.3°	120.0°
C8	N	H9	122.6°	120.1°
O2	N	H9	122.6°	120.0°
N	O2	H10	109.5°	114.0°
H1	C7	H2	109.5°	109.4°
H5	C6	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C	C1	H11	180.0°	180.0°
C	C5	C4	H4	180.0°	179.8°
C5	C	C1	C2	0.3°	0.0°
C	C5	C4	C3	0.5°	0.2°
C5	C	C1	H3	179.7°	179.7°
C	C5	C4	H7	179.5°	179.7°
C1	C	C5	C4	0.6°	0.0°
C	C1	C2	H3	180.0°	179.8°
C	C1	C2	C3	0.0°	0.2°
C1	C	C5	H4	179.4°	179.8°
C	C1	C2	H8	179.9°	179.8°
C5	C4	C3	H7	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.5°
C5	C4	C3	O	178.0°	180.0°
C4	C5	C	H11	179.4°	180.0°
C1	C2	C3	C4	0.1°	0.5°
C1	C2	C3	H8	180.0°	180.0°
C1	C2	C3	O	178.3°	180.0°
C2	C1	C	H11	179.7°	180.0°
C4	C3	C2	O	178.2°	179.5°
C4	C3	O	C6	17.0°	180.0°
C3	C4	C5	H4	179.5°	180.0°
C4	C3	C2	H8	179.9°	179.5°
C2	C3	O	C6	164.7°	0.6°
C3	C2	C1	H3	179.9°	180.0°
C2	C3	C4	H7	179.8°	179.4°
C3	O	C6	C7	155.8°	180.0°
C3	O	C6	H5	36.5°	60.0°
C3	O	C6	H6	84.9°	59.9°
O	C3	C4	H7	2.0°	0.0°
O	C3	C2	H8	1.7°	0.1°
O	C6	C7	H5	119.3°	120.0°
O	C6	C7	H6	119.3°	120.1°
O	C6	C7	C8	48.4°	180.0°
O	C6	C7	H1	71.8°	60.0°
O	C6	C7	H2	168.7°	59.9°
O	C6	H5	H6	122.0°	120.0°
C6	C7	C8	H1	120.2°	120.0°
C6	C7	C8	H2	120.2°	120.0°
C6	C7	C8	N	119.0°	180.0°
C6	C7	C8	O1	61.6°	0.1°
C6	C7	H1	H2	119.2°	119.9°
C7	C6	H5	H6	121.9°	119.9°
C7	C8	N	O1	179.4°	179.9°
C7	C8	N	O2	164.8°	180.0°
C8	C7	H1	H2	119.3°	120.0°
C8	C7	C6	H5	167.7°	60.0°
C8	C7	C6	H6	70.9°	60.0°
C7	C8	N	H9	15.2°	0.0°
C8	N	O2	H9	180.0°	179.9°
N	C8	C7	H1	1.2°	60.0°
N	C8	C7	H2	120.7°	60.0°
C8	N	O2	H10	7.2°	180.0°
O2	N	C8	O1	15.8°	0.0°
O1	C8	C7	H1	178.2°	120.0°
O1	C8	C7	H2	58.6°	120.1°
O1	C8	N	H9	164.2°	179.9°
H1	C7	C6	H5	47.5°	180.0°
H1	C7	C6	H6	168.9°	60.1°
H2	C7	C6	H5	72.0°	60.1°
H2	C7	C6	H6	49.4°	180.0°
H3	C1	C2	H8	0.1°	0.0°
H3	C1	C	H11	0.3°	0.3°
H4	C5	C4	H7	0.5°	0.1°
H4	C5	C	H11	0.5°	0.2°
H9	N	O2	H10	172.8°	0.1°

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