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Summary Geometry Related PDB entries

W3Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.38Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.37Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.39Å	1.38Å	Aromatic
C6	C1	sing	1.39Å	1.38Å	Aromatic
C6	C7	sing	1.51Å	1.49Å
C1	O	sing	1.36Å	1.34Å
C7	N	sing	1.47Å	1.47Å
O	C	sing	1.43Å	1.41Å
N	C8	sing	1.35Å	1.38Å
O1	C8	doub	1.22Å	1.20Å
C8	N1	sing	1.35Å	1.36Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.08Å	1.08Å
C4	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	120.2°	120.1°
C4	C3	C2	119.2°	120.0°
C3	C4	H6	119.9°	119.9°
C4	C3	H7	120.4°	120.0°
C4	C5	C6	121.0°	120.0°
C4	C5	H5	119.5°	120.0°
C5	C4	H6	119.9°	119.9°
C3	C2	C1	120.4°	119.9°
C2	C3	H7	120.4°	119.9°
C3	C2	H8	119.8°	120.0°
C5	C6	C1	117.5°	119.9°
C5	C6	C7	122.4°	120.0°
C6	C5	H5	119.5°	120.0°
C2	C1	C6	121.7°	119.9°
C2	C1	O	122.2°	120.0°
C1	C2	H8	119.8°	120.0°
C1	C6	C7	120.2°	120.0°
C6	C1	O	116.1°	120.1°
C6	C7	N	112.9°	109.4°
C6	C7	H3	108.6°	109.4°
C6	C7	H4	108.6°	109.5°
C1	O	C	113.7°	117.1°
C7	N	C8	120.4°	119.9°
N	C7	H3	108.6°	109.5°
N	C7	H4	108.6°	109.5°
C7	N	H9	119.8°	120.1°
O	C	H10	109.5°	109.5°
O	C	H11	109.5°	109.5°
O	C	H12	109.5°	109.5°
N	C8	O1	121.4°	120.0°
N	C8	N1	119.3°	120.0°
C8	N	H9	119.8°	120.0°
O1	C8	N1	119.2°	120.0°
C8	N1	H1	120.0°	120.0°
C8	N1	H2	120.0°	120.0°
H1	N1	H2	120.0°	120.0°
H3	C7	H4	109.5°	109.5°
H10	C	H11	109.4°	109.4°
H10	C	H12	109.5°	109.4°
H11	C	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H6	180.0°	179.8°
C4	C3	C2	H7	180.0°	179.8°
C3	C4	C5	C6	0.1°	0.2°
C4	C3	C2	C1	1.2°	0.1°
C3	C4	C5	H5	179.9°	179.8°
C4	C3	C2	H8	178.8°	180.0°
C5	C4	C3	C2	1.0°	0.2°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	1.0°	0.0°
C4	C5	C6	C7	178.9°	180.0°
C5	C4	C3	H7	179.0°	180.0°
C3	C2	C1	H8	180.0°	180.0°
C3	C2	C1	C6	0.3°	0.3°
C3	C2	C1	O	178.9°	180.0°
C2	C3	C4	H6	179.0°	180.0°
C5	C6	C1	C2	0.8°	0.2°
C5	C6	C1	C7	179.9°	180.0°
C5	C6	C1	O	180.0°	180.0°
C5	C6	C7	N	83.6°	100.0°
C5	C6	C7	H3	155.9°	20.0°
C5	C6	C7	H4	36.9°	140.0°
C6	C5	C4	H6	179.9°	180.0°
C2	C1	C6	O	179.2°	179.7°
C2	C1	C6	C7	179.1°	179.8°
C2	C1	O	C	16.1°	0.3°
C1	C2	C3	H7	178.8°	179.7°
C1	C6	C7	N	96.5°	80.0°
C6	C1	O	C	163.1°	180.0°
C1	C6	C7	H3	24.0°	160.0°
C1	C6	C7	H4	143.0°	40.0°
C1	C6	C5	H5	179.0°	180.0°
C6	C1	C2	H8	179.7°	179.8°
C7	C6	C1	O	0.1°	0.0°
C6	C7	N	H3	120.5°	120.0°
C6	C7	N	H4	120.5°	120.0°
C6	C7	N	C8	171.6°	180.0°
C6	C7	H3	H4	118.4°	120.0°
C7	C6	C5	H5	1.1°	0.0°
C6	C7	N	H9	8.4°	0.1°
O	C1	C2	H8	1.1°	0.0°
C1	O	C	H10	180.0°	60.0°
C1	O	C	H11	60.0°	60.0°
C1	O	C	H12	60.0°	180.0°
C7	N	C8	H9	180.0°	179.9°
C7	N	C8	O1	0.9°	0.1°
C7	N	C8	N1	179.8°	180.0°
N	C7	H3	H4	118.5°	120.1°
O	C	H10	H11	120.0°	120.0°
O	C	H10	H12	120.0°	120.0°
O	C	H11	H12	120.0°	120.1°
N	C8	O1	N1	179.3°	180.0°
N	C8	N1	H1	179.3°	180.0°
N	C8	N1	H2	0.7°	0.3°
C8	N	C7	H3	67.9°	60.0°
C8	N	C7	H4	51.1°	60.1°
O1	C8	N1	H1	0.1°	0.0°
O1	C8	N1	H2	180.0°	179.7°
O1	C8	N	H9	179.0°	180.0°
C8	N1	H1	H2	179.9°	179.7°
N1	C8	N	H9	0.2°	0.1°
H3	C7	N	H9	112.1°	119.9°
H4	C7	N	H9	128.9°	120.0°
H5	C5	C4	H6	0.1°	0.1°
H6	C4	C3	H7	1.0°	0.2°
H7	C3	C2	H8	1.2°	0.2°
H10	C	H11	H12	120.0°	119.9°

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