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Summary Geometry Related PDB entries

C7C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C1	sing	1.80Å	1.80Å
C1	C2	sing	1.40Å	1.40Å	Aromatic
C1	C6	doub	1.39Å	1.39Å	Aromatic
C2	C3	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
C4	S8	sing	1.69Å	1.69Å
S8	C9	sing	1.76Å	1.76Å
C9	C13	doub	1.49Å	1.49Å	Aromatic
C9	S10	sing	1.76Å	1.76Å	Aromatic
C13	C14	sing	1.46Å	1.46Å
C13	N12	sing	1.25Å	1.25Å	Aromatic
C14	O15	sing	1.25Å	1.25Å
C14	O16	doub	1.25Å	1.25Å
S10	N11	sing	1.63Å	1.63Å	Aromatic
N11	N12	doub	1.24Å	1.24Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C1	C2	119.9°	119.9°
CL	C1	C6	119.8°	119.8°
C2	C1	C6	120.3°	120.3°
C1	C2	C3	120.2°	120.2°
C1	C2	H2	119.9°	119.9°
C1	C6	C5	119.3°	119.3°
C1	C6	H6	120.3°	120.3°
C2	C3	C4	119.6°	119.6°
C3	C2	H2	119.9°	119.9°
C2	C3	H3	120.2°	120.2°
C3	C4	C5	120.1°	120.1°
C3	C4	S8	119.5°	119.5°
C4	C3	H3	120.2°	120.2°
C6	C5	C4	120.4°	120.4°
C5	C6	H6	120.3°	120.3°
C6	C5	H5	119.8°	119.8°
C5	C4	S8	120.5°	120.5°
C4	C5	H5	119.8°	119.8°
C4	S8	C9	110.0°	110.0°
S8	C9	C13	112.5°	112.5°
S8	C9	S10	112.2°	112.2°
C13	C9	S10	102.9°	102.9°
C9	C13	C14	126.4°	126.4°
C9	C13	N12	111.9°	111.9°
C9	S10	N11	87.4°	87.4°
C14	C13	N12	121.8°	121.8°
C13	C14	O15	120.1°	120.1°
C13	C14	O16	118.5°	118.5°
C13	N12	N11	114.7°	114.7°
O15	C14	O16	121.4°	121.4°
S10	N11	N12	117.8°	117.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C1	C2	C6	179.8°	179.8°
CL	C1	C2	C3	179.9°	179.9°
CL	C1	C6	C5	179.9°	179.9°
CL	C1	C2	H2	0.1°	0.1°
CL	C1	C6	H6	0.1°	0.1°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.2°
C2	C1	C6	C5	0.1°	0.1°
C2	C1	C6	H6	179.9°	179.9°
C1	C2	C3	H3	179.8°	179.8°
C6	C1	C2	C3	0.2°	0.2°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.1°
C6	C1	C2	H2	179.7°	179.7°
C1	C6	C5	H5	179.9°	179.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	S8	179.7°	179.7°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	S8	179.8°	179.8°
C3	C4	S8	C9	140.4°	140.4°
C4	C3	C2	H2	179.7°	179.7°
C3	C4	C5	H5	179.9°	179.9°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	S8	179.9°	179.9°
C5	C4	S8	C9	39.8°	39.8°
C4	C5	C6	H6	179.9°	179.9°
C5	C4	C3	H3	179.9°	179.9°
C4	S8	C9	C13	167.4°	167.4°
C4	S8	C9	S10	52.0°	52.0°
S8	C4	C3	H3	0.3°	0.3°
S8	C4	C5	H5	0.1°	0.1°
S8	C9	C13	S10	120.9°	120.9°
S8	C9	C13	C14	41.0°	41.0°
S8	C9	C13	N12	139.7°	139.7°
S8	C9	S10	N11	140.8°	140.8°
C9	C13	C14	N12	179.2°	179.2°
C9	C13	C14	O15	34.2°	34.2°
C9	C13	C14	O16	145.7°	145.7°
C13	C9	S10	N11	19.7°	19.7°
C9	C13	N12	N11	6.3°	6.3°
S10	C9	C13	C14	161.9°	161.9°
S10	C9	C13	N12	18.8°	18.8°
C9	S10	N11	N12	19.9°	19.9°
C13	C14	O15	O16	179.9°	179.9°
C14	C13	N12	N11	174.4°	174.4°
N12	C13	C14	O15	146.6°	146.6°
N12	C13	C14	O16	33.5°	33.5°
C13	N12	N11	S10	11.8°	11.8°
H2	C2	C3	H3	0.3°	0.3°
H6	C6	C5	H5	0.1°	0.1°

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PDB entries from 2026-01-14

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