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Summary Geometry Related PDB entries

UR7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.50Å
C1	C2	sing	1.38Å	1.41Å	Aromatic
C2	C3	doub	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.51Å	1.53Å
S	C5	sing	1.81Å	1.73Å
O	S	doub	1.42Å	1.43Å
O1	S	doub	1.42Å	1.42Å
N	S	sing	1.66Å	1.61Å
C4	C6	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.40Å	Aromatic
C1	C7	doub	1.38Å	1.40Å	Aromatic
C7	F	sing	1.35Å	1.34Å
C5	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
N	H7	sing	0.97Å	1.00Å
N	H8	sing	0.97Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	122.7°	120.0°
C	C1	C7	119.6°	120.1°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C2	C3	120.5°	120.0°
C2	C1	C7	117.6°	120.0°
C1	C2	H3	119.8°	120.0°
C2	C3	C4	120.1°	120.0°
C3	C2	H3	119.8°	120.0°
C2	C3	H4	120.0°	119.9°
C3	C4	C5	120.6°	119.9°
C3	C4	C6	120.3°	120.0°
C4	C3	H4	119.9°	120.0°
C4	C5	S	116.7°	109.5°
C5	C4	C6	119.0°	120.0°
C4	C5	H6	107.6°	109.5°
C4	C5	H5	107.6°	109.5°
C5	S	O	107.8°	110.5°
C5	S	O1	107.9°	110.6°
C5	S	N	101.3°	104.4°
S	C5	H6	107.6°	109.4°
S	C5	H5	107.6°	109.5°
O	S	O1	118.9°	121.0°
O	S	N	110.2°	104.2°
O1	S	N	109.1°	104.3°
S	N	H7	109.5°	119.9°
S	N	H8	109.5°	120.1°
C4	C6	C7	119.4°	120.0°
C4	C6	H9	120.3°	120.0°
C6	C7	C1	122.1°	120.0°
C6	C7	F	118.5°	120.1°
C7	C6	H9	120.3°	120.0°
C1	C7	F	119.5°	120.0°
H6	C5	H5	109.5°	109.5°
H7	N	H8	109.5°	120.0°
H1	C	H2	109.4°	109.5°
H1	C	H	109.5°	109.4°
H2	C	H	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C7	178.7°	180.0°
C	C1	C2	C3	178.5°	179.7°
C	C1	C7	C6	178.8°	180.0°
C	C1	C7	F	1.1°	0.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H	120.0°	120.0°
C1	C	H2	H	120.0°	120.0°
C	C1	C2	H3	1.5°	0.1°
C1	C2	C3	H3	180.0°	179.8°
C1	C2	C3	C4	0.6°	0.5°
C2	C1	C7	C6	0.1°	0.0°
C2	C1	C7	F	179.8°	180.0°
C2	C1	C	H1	89.3°	90.0°
C2	C1	C	H2	150.7°	150.0°
C2	C1	C	H	30.7°	29.9°
C1	C2	C3	H4	179.4°	180.0°
C2	C3	C4	H4	180.0°	179.6°
C2	C3	C4	C5	176.0°	179.8°
C2	C3	C4	C6	0.6°	0.5°
C3	C2	C1	C7	0.2°	0.2°
C3	C4	C5	C6	176.6°	179.7°
C3	C4	C5	S	98.5°	90.3°
C3	C4	C6	C7	0.3°	0.3°
C3	C4	C5	H6	22.6°	29.7°
C3	C4	C5	H5	140.5°	149.8°
C3	C4	C6	H9	179.7°	179.8°
C4	C3	C2	H3	179.5°	179.7°
C4	C5	S	H6	121.0°	120.0°
C4	C5	S	H5	121.1°	120.0°
C4	C5	S	O	67.2°	68.4°
C4	C5	S	O1	163.1°	68.4°
C4	C5	S	N	48.6°	179.9°
C5	C4	C6	C7	176.3°	180.0°
C4	C5	H6	H5	116.7°	120.0°
C5	C4	C6	H9	3.6°	0.1°
C5	C4	C3	H4	4.0°	0.2°
C5	S	O	O1	123.2°	131.6°
C5	S	O	N	109.8°	111.7°
C5	S	O1	N	109.3°	111.8°
S	C5	C4	C6	84.9°	90.0°
S	C5	H6	H5	116.7°	120.0°
C5	S	N	H7	180.0°	90.0°
C5	S	N	H8	60.0°	90.0°
O	S	O1	N	127.6°	116.7°
O	S	C5	H6	53.8°	171.6°
O	S	C5	H5	171.7°	51.6°
O	S	N	H7	66.0°	153.9°
O	S	N	H8	174.0°	26.0°
O1	S	C5	H6	75.9°	51.6°
O1	S	C5	H5	42.1°	171.6°
O1	S	N	H7	66.3°	26.1°
O1	S	N	H8	53.7°	153.9°
N	S	C5	H6	169.6°	60.0°
N	S	C5	H5	72.5°	60.0°
S	N	H7	H8	120.0°	179.9°
C4	C6	C7	H9	180.0°	179.9°
C4	C6	C7	C1	0.0°	0.0°
C4	C6	C7	F	179.9°	180.0°
C6	C4	C5	H6	154.1°	150.0°
C6	C4	C5	H5	36.2°	29.9°
C6	C4	C3	H4	179.4°	180.0°
C6	C7	C1	F	179.9°	180.0°
C1	C7	C6	H9	180.0°	180.0°
C7	C1	C	H1	89.4°	90.0°
C7	C1	C	H2	30.6°	30.0°
C7	C1	C	H	150.6°	150.0°
C7	C1	C2	H3	179.8°	179.9°
F	C7	C6	H9	0.1°	0.0°
H1	C	H2	H	120.0°	120.0°
H3	C2	C3	H4	0.6°	0.1°

249697

PDB entries from 2026-02-25

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