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Summary Geometry Related PDB entries

256

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C6	sing	1.38Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.38Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	C7	sing	1.51Å	1.47Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.51Å	1.58Å
C7	S10	sing	1.81Å	1.76Å
C7	H7	sing	1.09Å	1.11Å
C8	O9	sing	1.34Å	1.39Å
C8	O13	doub	1.21Å	1.21Å
O9	H9	sing	0.97Å	0.95Å
S10	O12	sing	1.52Å	1.62Å
S10	O14	doub	1.42Å	1.46Å
S10	O15	doub	1.42Å	1.44Å
O12	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	125.1°	120.0°
C2	C1	H1	116.5°	120.0°
C1	C2	C3	117.5°	120.0°
C1	C2	H2	121.3°	119.9°
C6	C1	H1	118.5°	120.0°
C1	C6	C5	117.3°	120.0°
C1	C6	H6	122.3°	120.0°
C3	C2	H2	121.2°	120.1°
C2	C3	C4	118.4°	120.0°
C2	C3	H3	119.9°	120.0°
C4	C3	H3	121.7°	120.0°
C3	C4	C5	123.2°	120.0°
C3	C4	C7	121.0°	120.0°
C5	C4	C7	115.8°	120.0°
C4	C5	C6	118.3°	120.0°
C4	C5	H5	121.7°	120.0°
C4	C7	C8	112.6°	109.5°
C4	C7	S10	120.3°	109.4°
C4	C7	H7	98.2°	109.5°
C6	C5	H5	120.0°	120.0°
C5	C6	H6	120.4°	120.0°
C8	C7	S10	107.8°	109.5°
C8	C7	H7	113.4°	109.5°
C7	C8	O9	105.5°	120.0°
C7	C8	O13	129.2°	120.0°
S10	C7	H7	104.1°	109.4°
C7	S10	O12	100.2°	103.1°
C7	S10	O14	110.4°	111.6°
C7	S10	O15	109.1°	111.6°
O9	C8	O13	125.0°	120.0°
C8	O9	H9	105.6°	120.0°
O12	S10	O14	110.3°	102.8°
O12	S10	O15	114.6°	102.8°
S10	O12	H12	100.2°	106.8°
O14	S10	O15	111.7°	122.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	2.9°	0.0°
C1	C2	C3	H3	177.1°	180.0°
C2	C1	C6	C5	0.4°	0.2°
C2	C1	C6	H6	179.7°	180.0°
C6	C1	C2	C3	0.4°	0.0°
C6	C1	C2	H2	179.6°	179.9°
C1	C6	C5	C4	2.8°	0.5°
C1	C6	C5	H6	180.0°	179.8°
C1	C6	C5	H5	177.1°	180.0°
H1	C1	C2	C3	179.6°	179.9°
H1	C1	C2	H2	0.4°	0.0°
H1	C1	C6	C5	179.6°	179.8°
H1	C1	C6	H6	0.3°	0.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	5.7°	0.3°
C2	C3	C4	C7	171.7°	180.0°
H2	C2	C3	C4	177.1°	179.9°
H2	C2	C3	H3	2.9°	0.1°
C3	C4	C5	C7	177.5°	179.7°
C3	C4	C5	C6	5.6°	0.5°
C3	C4	C5	H5	174.3°	180.0°
C3	C4	C7	C8	115.5°	120.0°
C3	C4	C7	S10	115.8°	120.0°
C3	C4	C7	H7	4.2°	0.1°
H3	C3	C4	C5	174.3°	179.8°
H3	C3	C4	C7	8.3°	0.1°
C4	C5	C6	H5	179.9°	179.5°
C4	C5	C6	H6	177.2°	179.7°
C5	C4	C7	C8	67.0°	59.7°
C5	C4	C7	S10	61.8°	60.3°
C5	C4	C7	H7	173.4°	179.7°
C7	C4	C5	C6	171.9°	179.8°
C7	C4	C5	H5	8.2°	0.3°
C4	C7	C8	S10	135.0°	120.0°
C4	C7	C8	H7	110.4°	120.1°
C4	C7	S10	H7	108.5°	120.0°
C4	C7	C8	O9	97.1°	150.0°
C4	C7	C8	O13	88.4°	29.9°
C4	C7	S10	O12	174.6°	60.0°
C4	C7	S10	O14	69.1°	169.7°
C4	C7	S10	O15	54.0°	49.7°
H5	C5	C6	H6	2.8°	0.2°
C8	C7	S10	H7	120.7°	120.0°
C7	C8	O9	O13	174.8°	179.9°
C7	C8	O9	H9	180.0°	179.9°
C8	C7	S10	O12	54.5°	60.0°
C8	C7	S10	O14	61.8°	49.7°
C8	C7	S10	O15	175.2°	169.7°
S10	C7	C8	O9	127.9°	90.0°
S10	C7	C8	O13	46.6°	90.1°
C7	S10	O12	O14	116.4°	116.2°
C7	S10	O12	O15	116.5°	116.2°
C7	S10	O14	O15	121.5°	135.8°
C7	S10	O12	H12	180.0°	180.0°
H7	C7	C8	O9	13.3°	29.9°
H7	C7	C8	O13	161.2°	150.0°
H7	C7	S10	O12	66.1°	180.0°
H7	C7	S10	O14	177.6°	70.3°
H7	C7	S10	O15	54.5°	70.3°
O13	C8	O9	H9	5.2°	0.0°
O12	S10	O14	O15	128.7°	114.3°
O14	S10	O12	H12	63.7°	63.8°
O15	S10	O12	H12	63.4°	63.8°

247947

PDB entries from 2026-01-21

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