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Summary Geometry Related PDB entries

HMQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	doub	1.22Å	1.25Å
C5	C6	sing	1.47Å	1.52Å
C5	C4	sing	1.48Å	1.52Å
C6	C1	doub	1.33Å	1.35Å
C4	C3	doub	1.33Å	1.35Å
C3	C2	sing	1.50Å	1.53Å
C2	O6	sing	1.43Å	1.43Å
C2	O2	sing	1.43Å	1.42Å
C2	C1	sing	1.50Å	1.54Å
O6	O7	sing	1.47Å	1.35Å
C1	C7	sing	1.51Å	1.52Å
C7	C8	sing	1.51Å	1.51Å
C8	OD1	doub	1.21Å	1.25Å
C8	OD2	sing	1.34Å	1.25Å
C6	H6	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
O2	H2	sing	0.97Å	0.95Å
C7	H71C	sing	1.09Å	1.10Å
C7	H72C	sing	1.09Å	1.10Å
OD2	HD2	sing	0.97Å	0.95Å
O7	H7L	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C5	C6	121.9°	121.1°
O5	C5	C4	120.1°	121.1°
C6	C5	C4	118.1°	117.8°
C5	C6	C1	119.6°	119.3°
C5	C6	H6	120.2°	120.3°
C5	C4	C3	119.6°	119.4°
C5	C4	H4	120.2°	120.3°
C6	C1	C2	121.9°	123.0°
C6	C1	C7	118.2°	118.4°
C1	C6	H6	120.2°	120.3°
C4	C3	C2	123.4°	123.0°
C3	C4	H4	120.2°	120.3°
C4	C3	H3	118.3°	118.5°
C3	C2	O6	108.7°	108.8°
C3	C2	O2	107.2°	108.7°
C3	C2	C1	112.3°	113.0°
C2	C3	H3	118.3°	118.5°
O6	C2	O2	109.9°	108.7°
O6	C2	C1	107.3°	109.0°
C2	O6	O7	129.9°	114.0°
O2	C2	C1	111.4°	108.6°
C2	O2	H2	109.5°	114.0°
C2	C1	C7	119.1°	118.5°
O6	O7	H7L	109.5°	114.1°
C1	C7	C8	111.3°	109.4°
C1	C7	H71C	109.0°	109.5°
C1	C7	H72C	109.0°	109.4°
C7	C8	OD1	116.8°	120.1°
C7	C8	OD2	119.4°	120.0°
C8	C7	H71C	109.0°	109.5°
C8	C7	H72C	109.0°	109.5°
OD1	C8	OD2	123.7°	120.0°
C8	OD2	HD2	109.5°	116.9°
H71C	C7	H72C	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C6	C4	179.9°	179.7°
O5	C5	C6	C1	175.1°	163.4°
O5	C5	C4	C3	180.0°	163.5°
O5	C5	C6	H6	4.9°	16.5°
O5	C5	C4	H4	0.1°	16.7°
C5	C6	C1	H6	180.0°	180.0°
C6	C5	C4	C3	0.1°	16.8°
C5	C6	C1	C2	19.3°	0.6°
C5	C6	C1	C7	171.3°	179.4°
C6	C5	C4	H4	179.9°	163.1°
C4	C5	C6	C1	4.8°	16.8°
C5	C4	C3	H4	180.0°	179.9°
C5	C4	C3	C2	9.9°	0.7°
C4	C5	C6	H6	175.2°	163.2°
C5	C4	C3	H3	170.1°	179.4°
C6	C1	C2	C3	27.0°	16.9°
C6	C1	C2	O6	92.4°	104.2°
C6	C1	C2	O2	147.3°	137.5°
C6	C1	C2	C7	169.3°	180.0°
C6	C1	C7	C8	103.5°	95.0°
C6	C1	C7	H71C	136.2°	145.0°
C6	C1	C7	H72C	16.8°	25.0°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	O6	96.4°	104.2°
C4	C3	C2	O2	144.9°	137.5°
C4	C3	C2	C1	22.2°	16.9°
C3	C2	O6	O2	117.0°	118.2°
C3	C2	O6	C1	121.7°	123.6°
C3	C2	O2	C1	123.3°	123.3°
C3	C2	O6	O7	60.2°	55.0°
C3	C2	C1	C7	163.7°	163.1°
C2	C3	C4	H4	170.1°	179.5°
C3	C2	O2	H2	180.0°	60.0°
O6	C2	O2	C1	118.8°	118.5°
O6	C2	C1	C7	76.9°	75.9°
O6	C2	C3	H3	83.6°	75.7°
O6	C2	O2	H2	62.0°	58.3°
C2	O6	O7	H7L	180.0°	180.0°
O2	C2	O6	O7	56.8°	63.3°
O2	C2	C1	C7	43.4°	42.4°
O2	C2	C3	H3	35.1°	42.6°
C1	C2	O6	O7	178.1°	178.5°
C2	C1	C7	C8	86.8°	85.0°
C2	C1	C6	H6	160.7°	179.4°
C1	C2	C3	H3	157.8°	163.2°
C1	C2	O2	H2	56.8°	176.7°
C2	C1	C7	H71C	33.5°	35.0°
C2	C1	C7	H72C	152.9°	155.0°
C1	C7	C8	H71C	120.3°	120.0°
C1	C7	C8	H72C	120.3°	119.9°
C1	C7	C8	OD1	120.9°	0.1°
C1	C7	C8	OD2	60.0°	180.0°
C7	C1	C6	H6	8.7°	0.6°
C1	C7	H71C	H72C	119.1°	120.0°
C7	C8	OD1	OD2	179.1°	179.9°
C8	C7	H71C	H72C	119.2°	120.1°
C7	C8	OD2	HD2	179.1°	180.0°
OD1	C8	C7	H71C	0.6°	119.9°
OD1	C8	C7	H72C	118.8°	120.0°
OD1	C8	OD2	HD2	0.0°	0.1°
OD2	C8	C7	H71C	179.7°	60.0°
OD2	C8	C7	H72C	60.3°	60.1°
H4	C4	C3	H3	9.9°	0.5°

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