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Summary Geometry Related PDB entries

3ZB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C10	sing	1.35Å	1.31Å
C5	C2	sing	1.42Å	1.44Å	Aromatic
C5	C7	doub	1.36Å	1.37Å	Aromatic
C6	C2	doub	1.40Å	1.39Å	Aromatic
C6	C9	sing	1.37Å	1.38Å	Aromatic
C2	C1	sing	1.41Å	1.41Å	Aromatic
C10	C7	sing	1.47Å	1.48Å
C10	O13	doub	1.22Å	1.23Å
CL	C9	sing	1.74Å	1.74Å
C7	N3	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.39Å	1.39Å	Aromatic
C1	N3	sing	1.38Å	1.38Å	Aromatic
C1	C4	doub	1.39Å	1.39Å	Aromatic
C8	C4	sing	1.38Å	1.39Å	Aromatic
N3	H14	sing	0.97Å	1.00Å
C4	H15	sing	1.08Å	1.08Å
C5	H16	sing	1.08Å	1.08Å
C6	H17	sing	1.08Å	1.08Å
C8	H18	sing	1.08Å	1.08Å
O12	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C10	C7	114.8°	120.0°
O12	C10	O13	123.8°	120.0°
C10	O12	H19	109.5°	117.0°
C2	C5	C7	107.4°	107.7°
C5	C2	C6	134.5°	133.3°
C5	C2	C1	106.6°	107.0°
C2	C5	H16	126.3°	126.2°
C5	C7	C10	132.5°	125.4°
C5	C7	N3	109.2°	109.1°
C7	C5	H16	126.3°	126.1°
C2	C6	C9	119.4°	119.8°
C6	C2	C1	118.8°	119.7°
C2	C6	H17	120.3°	120.1°
C6	C9	CL	118.9°	119.7°
C6	C9	C8	121.9°	120.6°
C9	C6	H17	120.3°	120.1°
C2	C1	N3	107.9°	107.4°
C2	C1	C4	121.6°	119.4°
C7	C10	O13	121.4°	120.1°
C10	C7	N3	118.3°	125.5°
CL	C9	C8	119.2°	119.7°
C7	N3	C1	108.9°	108.8°
C7	N3	H14	125.6°	125.6°
C9	C8	C4	119.5°	120.6°
C9	C8	H18	120.2°	119.7°
N3	C1	C4	130.4°	133.2°
C1	N3	H14	125.6°	125.6°
C1	C4	C8	118.7°	119.8°
C1	C4	H15	120.6°	120.1°
C8	C4	H15	120.6°	120.1°
C4	C8	H18	120.2°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C10	C7	C5	6.2°	180.0°
O12	C10	C7	O13	176.8°	180.0°
O12	C10	C7	N3	172.7°	0.6°
C2	C5	C7	H16	180.0°	179.8°
C5	C2	C6	C1	175.8°	180.0°
C5	C2	C6	C9	175.4°	180.0°
C2	C5	C7	C10	179.6°	180.0°
C2	C5	C7	N3	1.4°	0.5°
C5	C2	C1	N3	0.7°	0.0°
C5	C2	C1	C4	178.3°	179.8°
C5	C2	C6	H17	4.6°	0.0°
C7	C5	C2	C6	174.8°	179.7°
C7	C5	C2	C1	1.3°	0.3°
C5	C7	C10	N3	178.9°	179.4°
C5	C7	C10	O13	170.6°	0.0°
C5	C7	N3	C1	1.0°	0.5°
C5	C7	N3	H14	179.0°	179.6°
C2	C6	C9	H17	180.0°	180.0°
C2	C6	C9	CL	176.2°	180.0°
C2	C6	C9	C8	1.6°	0.3°
C6	C2	C1	N3	176.1°	180.0°
C6	C2	C1	C4	1.5°	0.2°
C6	C2	C5	H16	5.2°	0.1°
C9	C6	C2	C1	0.4°	0.1°
C6	C9	CL	C8	177.9°	179.7°
C6	C9	C8	C4	1.1°	0.2°
C6	C9	C8	H18	178.9°	179.7°
C2	C1	N3	C7	0.1°	0.3°
C2	C1	N3	C4	177.3°	179.7°
C2	C1	C4	C8	2.0°	0.3°
C2	C1	N3	H14	179.9°	179.8°
C2	C1	C4	H15	178.0°	179.7°
C1	C2	C5	H16	178.7°	179.9°
C1	C2	C6	H17	179.6°	180.0°
C10	C7	N3	C1	179.9°	180.0°
C10	C7	N3	H14	0.1°	0.1°
C10	C7	C5	H16	0.4°	0.2°
C7	C10	O12	H19	176.7°	180.0°
O13	C10	C7	N3	10.5°	179.4°
O13	C10	O12	H19	0.0°	0.1°
CL	C9	C8	C4	176.7°	179.9°
CL	C9	C6	H17	3.8°	0.0°
CL	C9	C8	H18	3.2°	0.0°
C7	N3	C1	H14	180.0°	179.9°
C7	N3	C1	C4	177.2°	180.0°
N3	C7	C5	H16	178.6°	179.7°
C9	C8	C4	C1	0.7°	0.0°
C9	C8	C4	H18	180.0°	180.0°
C9	C8	C4	H15	179.3°	179.9°
C8	C9	C6	H17	178.4°	179.7°
N3	C1	C4	C8	175.0°	179.9°
N3	C1	C4	H15	5.0°	0.1°
C1	C4	C8	H15	180.0°	180.0°
C4	C1	N3	H14	2.8°	0.1°
C1	C4	C8	H18	179.2°	180.0°
H15	C4	C8	H18	0.7°	0.0°

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