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Summary Geometry Related PDB entries

MQB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C1	doub	1.21Å	1.24Å
C1	O1	sing	1.34Å	1.25Å
C1	C2	sing	1.51Å	1.54Å
C4	C3	doub	1.34Å	1.36Å	Aromatic
C4	O3	sing	1.34Å	1.39Å	Aromatic
C2	C3	sing	1.51Å	1.50Å
C3	C10	sing	1.47Å	1.43Å	Aromatic
O3	C5	sing	1.35Å	1.39Å	Aromatic
C10	C5	doub	1.41Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.37Å	Aromatic
C5	C6	sing	1.39Å	1.37Å	Aromatic
C9	C8	doub	1.37Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.39Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
O1	H5	sing	0.97Å	0.95Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	O1	123.7°	120.0°
O2	C1	C2	120.3°	120.0°
O1	C1	C2	116.0°	120.0°
C1	O1	H5	109.5°	117.0°
C1	C2	C3	117.9°	109.5°
C1	C2	H6	107.3°	109.5°
C1	C2	H7	107.3°	109.5°
C3	C4	O3	111.2°	110.2°
C4	C3	C2	127.7°	126.9°
C4	C3	C10	107.0°	106.1°
C3	C4	H1	124.4°	124.9°
C4	O3	C5	105.2°	110.9°
O3	C4	H1	124.4°	125.0°
C2	C3	C10	125.2°	126.9°
C3	C2	H6	107.3°	109.4°
C3	C2	H7	107.3°	109.4°
C3	C10	C5	105.9°	105.5°
C3	C10	C9	133.7°	134.3°
O3	C5	C10	110.5°	107.3°
O3	C5	C6	126.4°	133.5°
C5	C10	C9	120.3°	120.2°
C10	C5	C6	123.0°	119.2°
C10	C9	C8	117.5°	119.7°
C10	C9	H8	121.2°	120.2°
C5	C6	C7	115.9°	119.9°
C5	C6	H2	122.1°	120.1°
C9	C8	C7	121.4°	120.5°
C9	C8	H4	119.3°	119.8°
C8	C9	H8	121.3°	120.2°
C6	C7	C8	121.5°	120.6°
C7	C6	H2	122.1°	120.1°
C6	C7	H3	119.2°	119.7°
C8	C7	H3	119.2°	119.6°
C7	C8	H4	119.3°	119.7°
H6	C2	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	O1	C2	177.4°	179.9°
O2	C1	C2	C3	12.6°	0.1°
O2	C1	O1	H5	0.0°	0.1°
O2	C1	C2	H6	133.8°	119.9°
O2	C1	C2	H7	108.6°	120.0°
O1	C1	C2	C3	164.9°	180.0°
O1	C1	C2	H6	43.7°	60.0°
O1	C1	C2	H7	73.9°	60.1°
C1	C2	C3	C4	111.0°	95.0°
C1	C2	C3	H6	121.2°	120.0°
C1	C2	C3	H7	121.2°	120.0°
C1	C2	C3	C10	74.3°	85.1°
C2	C1	O1	H5	177.4°	180.0°
C1	C2	H6	H7	116.2°	120.0°
C3	C4	O3	H1	180.0°	179.8°
C4	C3	C2	C10	174.7°	180.0°
C3	C4	O3	C5	5.2°	0.0°
C4	C3	C10	C5	1.3°	0.0°
C4	C3	C10	C9	178.8°	180.0°
C4	C3	C2	H6	127.8°	145.0°
C4	C3	C2	H7	10.2°	25.0°
O3	C4	C3	C2	179.5°	180.0°
O3	C4	C3	C10	4.1°	0.0°
C4	O3	C5	C10	4.3°	0.0°
C4	O3	C5	C6	179.7°	180.0°
C2	C3	C10	C5	176.9°	180.0°
C2	C3	C10	C9	5.6°	0.0°
C2	C3	C4	H1	0.5°	0.2°
C3	C2	H6	H7	116.2°	120.0°
C3	C10	C5	O3	1.9°	0.0°
C3	C10	C5	C9	177.9°	180.0°
C3	C10	C5	C6	177.5°	180.0°
C3	C10	C9	C8	179.8°	180.0°
C10	C3	C4	H1	175.9°	179.7°
C10	C3	C2	H6	46.9°	35.0°
C10	C3	C2	H7	164.5°	155.0°
C3	C10	C9	H8	0.2°	0.0°
O3	C5	C10	C6	175.6°	180.0°
O3	C5	C10	C9	176.0°	180.0°
O3	C5	C6	C7	179.5°	180.0°
C5	O3	C4	H1	174.8°	179.7°
O3	C5	C6	H2	0.5°	0.0°
C5	C10	C9	C8	2.9°	0.0°
C10	C5	C6	C7	5.6°	0.0°
C10	C5	C6	H2	174.4°	180.0°
C5	C10	C9	H8	177.1°	180.0°
C9	C10	C5	C6	0.4°	0.0°
C10	C9	C8	H8	180.0°	180.0°
C10	C9	C8	C7	0.9°	0.0°
C10	C9	C8	H4	179.1°	180.0°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	C8	7.6°	0.0°
C5	C6	C7	H3	172.4°	180.0°
C9	C8	C7	C6	4.6°	0.0°
C9	C8	C7	H4	180.0°	180.0°
C9	C8	C7	H3	175.4°	180.0°
C6	C7	C8	H3	180.0°	180.0°
C6	C7	C8	H4	175.5°	180.0°
C8	C7	C6	H2	172.4°	180.0°
C7	C8	C9	H8	179.1°	180.0°
H2	C6	C7	H3	7.6°	0.0°
H3	C7	C8	H4	4.5°	0.0°
H4	C8	C9	H8	1.0°	0.0°

250059

PDB entries from 2026-03-04

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