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Summary Geometry Related PDB entries

8MK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C1	doub	1.21Å	1.24Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.41Å	1.47Å
C2	C3	doub	1.36Å	1.33Å
C1	C	sing	1.51Å	1.50Å
O1	C7	sing	1.36Å	1.37Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.47Å	1.46Å
C4	C9	doub	1.40Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C1	C2	120.8°	120.0°
O	C1	C	119.8°	120.0°
C5	C6	C7	120.0°	120.1°
C6	C5	C4	121.3°	119.9°
C6	C5	H1	119.4°	120.0°
C5	C6	H2	120.0°	119.9°
C6	C7	O1	119.8°	119.9°
C6	C7	C8	119.6°	120.2°
C7	C6	H2	120.0°	119.9°
C5	C4	C3	120.8°	120.1°
C5	C4	C9	117.8°	119.8°
C4	C5	H1	119.3°	120.1°
C1	C2	C3	119.6°	120.0°
C2	C1	C	119.3°	120.0°
C1	C2	H8	120.2°	120.0°
C2	C3	C4	126.7°	120.0°
C3	C2	H8	120.2°	120.0°
C2	C3	H9	116.6°	120.0°
C1	C	H5	109.5°	109.5°
C1	C	H6	109.4°	109.5°
C1	C	H7	109.5°	109.4°
O1	C7	C8	120.6°	119.9°
C7	O1	H10	109.5°	114.0°
C7	C8	C9	119.9°	120.1°
C7	C8	H3	120.0°	119.9°
C3	C4	C9	121.4°	120.1°
C4	C3	H9	116.7°	120.0°
C4	C9	C8	121.3°	119.9°
C4	C9	H4	119.3°	120.1°
C9	C8	H3	120.0°	120.0°
C8	C9	H4	119.3°	120.1°
H5	C	H6	109.5°	109.5°
H5	C	H7	109.5°	109.4°
H6	C	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C1	C2	C	179.2°	179.9°
O	C1	C2	C3	178.2°	0.0°
O	C1	C	H5	0.0°	0.1°
O	C1	C	H6	120.0°	120.0°
O	C1	C	H7	120.0°	120.1°
O	C1	C2	H8	1.9°	179.9°
C5	C6	C7	H2	180.0°	179.9°
C6	C5	C4	H1	180.0°	180.0°
C5	C6	C7	O1	180.0°	180.0°
C5	C6	C7	C8	0.2°	0.1°
C6	C5	C4	C3	179.9°	180.0°
C6	C5	C4	C9	0.2°	0.2°
C7	C6	C5	C4	0.5°	0.1°
C6	C7	O1	C8	179.7°	179.9°
C6	C7	C8	C9	0.3°	0.3°
C7	C6	C5	H1	179.5°	180.0°
C6	C7	C8	H3	179.7°	180.0°
C6	C7	O1	H10	180.0°	90.0°
C5	C4	C3	C2	0.7°	0.3°
C5	C4	C3	C9	179.7°	179.8°
C5	C4	C9	C8	0.3°	0.5°
C4	C5	C6	H2	179.5°	180.0°
C5	C4	C9	H4	179.7°	179.8°
C5	C4	C3	H9	179.3°	179.8°
C1	C2	C3	H8	180.0°	179.9°
C1	C2	C3	C4	172.6°	180.0°
C2	C1	C	H5	179.2°	180.0°
C2	C1	C	H6	59.2°	59.9°
C2	C1	C	H7	60.8°	60.0°
C1	C2	C3	H9	7.4°	0.1°
C3	C2	C1	C	1.0°	179.9°
C2	C3	C4	H9	180.0°	180.0°
C2	C3	C4	C9	179.0°	179.9°
C1	C	H5	H6	120.0°	120.1°
C1	C	H5	H7	120.0°	120.0°
C1	C	H6	H7	120.0°	119.9°
C	C1	C2	H8	179.0°	0.0°
O1	C7	C8	C9	179.5°	179.8°
O1	C7	C6	H2	0.0°	0.1°
O1	C7	C8	H3	0.6°	0.1°
C7	C8	C9	C4	0.5°	0.5°
C7	C8	C9	H3	180.0°	179.7°
C8	C7	C6	H2	179.8°	180.0°
C7	C8	C9	H4	179.5°	179.7°
C8	C7	O1	H10	0.2°	90.1°
C3	C4	C9	C8	179.4°	179.7°
C3	C4	C5	H1	0.1°	0.0°
C3	C4	C9	H4	0.5°	0.0°
C4	C3	C2	H8	7.4°	0.0°
C4	C9	C8	H4	180.0°	179.7°
C9	C4	C5	H1	179.8°	179.8°
C4	C9	C8	H3	179.5°	179.8°
C9	C4	C3	H9	1.0°	0.0°
H1	C5	C6	H2	0.4°	0.0°
H3	C8	C9	H4	0.5°	0.0°
H5	C	H6	H7	120.0°	120.0°
H8	C2	C3	H9	172.7°	180.0°

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