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Summary Geometry Related PDB entries

4MI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C09	doub	1.22Å	1.26Å
C09	O10	sing	1.35Å	1.26Å
C09	C06	sing	1.47Å	1.51Å
C05	C04	doub	1.37Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.37Å	Aromatic
C04	C03	sing	1.39Å	1.38Å	Aromatic
C06	C07	doub	1.40Å	1.38Å	Aromatic
C03	C08	doub	1.39Å	1.37Å	Aromatic
C03	S02	sing	1.76Å	1.78Å
C07	C08	sing	1.37Å	1.38Å	Aromatic
C01	S02	sing	1.81Å	1.78Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C08	H7	sing	1.08Å	1.08Å
O10	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C09	O10	122.6°	120.0°
O11	C09	C06	118.4°	120.0°
O10	C09	C06	118.9°	120.0°
C09	O10	H8	109.5°	116.9°
C09	C06	C05	119.3°	120.1°
C09	C06	C07	120.4°	120.1°
C04	C05	C06	119.3°	119.9°
C05	C04	C03	120.3°	120.1°
C05	C04	H4	119.8°	119.9°
C04	C05	H5	120.3°	120.1°
C05	C06	C07	120.2°	119.9°
C06	C05	H5	120.4°	120.0°
C04	C03	C08	119.8°	120.1°
C04	C03	S02	119.4°	119.9°
C03	C04	H4	119.9°	120.0°
C06	C07	C08	120.5°	119.9°
C06	C07	H6	119.8°	120.0°
C08	C03	S02	120.8°	119.9°
C03	C08	C07	119.9°	120.1°
C03	C08	H7	120.0°	119.9°
C03	S02	C01	104.3°	103.0°
C08	C07	H6	119.8°	120.0°
C07	C08	H7	120.1°	120.0°
S02	C01	H1	109.5°	109.5°
S02	C01	H2	109.4°	109.5°
S02	C01	H3	109.5°	109.4°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.4°
H2	C01	H3	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C09	O10	C06	177.1°	180.0°
O11	C09	C06	C05	18.0°	0.0°
O11	C09	C06	C07	164.0°	180.0°
O11	C09	O10	H8	0.0°	0.1°
O10	C09	C06	C05	159.3°	180.0°
O10	C09	C06	C07	18.8°	0.0°
C09	C06	C05	C04	178.6°	180.0°
C09	C06	C05	C07	178.1°	180.0°
C09	C06	C07	C08	179.3°	179.9°
C09	C06	C05	H5	1.4°	0.1°
C09	C06	C07	H6	0.7°	0.1°
C06	C09	O10	H8	177.1°	180.0°
C04	C05	C06	H5	180.0°	179.9°
C05	C04	C03	H4	180.0°	180.0°
C04	C05	C06	C07	0.5°	0.0°
C05	C04	C03	C08	0.2°	0.0°
C05	C04	C03	S02	179.5°	179.8°
C06	C05	C04	C03	0.2°	0.0°
C05	C06	C07	C08	1.3°	0.0°
C06	C05	C04	H4	179.8°	180.0°
C05	C06	C07	H6	178.7°	180.0°
C04	C03	C08	S02	179.7°	179.8°
C04	C03	C08	C07	0.6°	0.0°
C04	C03	S02	C01	33.9°	0.2°
C03	C04	C05	H5	179.8°	180.0°
C04	C03	C08	H7	179.4°	179.7°
C06	C07	C08	C03	1.3°	0.0°
C06	C07	C08	H6	180.0°	180.0°
C07	C06	C05	H5	179.5°	180.0°
C06	C07	C08	H7	178.7°	179.7°
C03	C08	C07	H7	180.0°	179.7°
C08	C03	S02	C01	145.8°	180.0°
C08	C03	C04	H4	179.8°	180.0°
C03	C08	C07	H6	178.7°	179.9°
S02	C03	C08	C07	179.7°	179.7°
C03	S02	C01	H1	180.0°	60.0°
C03	S02	C01	H2	60.0°	60.0°
C03	S02	C01	H3	60.0°	180.0°
S02	C03	C04	H4	0.5°	0.2°
S02	C03	C08	H7	0.3°	0.1°
S02	C01	H1	H2	120.0°	120.1°
S02	C01	H1	H3	120.0°	120.0°
S02	C01	H2	H3	120.0°	120.0°
H1	C01	H2	H3	120.0°	119.9°
H4	C04	C05	H5	0.2°	0.0°
H6	C07	C08	H7	1.3°	0.3°

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