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Summary Geometry Related PDB entries

3CG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	doub	1.40Å	1.37Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C2	C7	sing	1.40Å	1.38Å	Aromatic
C2	C1	sing	1.47Å	1.49Å
C7	C6	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	SB	sing	2.19Å	2.12Å
C14	C1	doub	1.35Å	1.38Å
C14	C15	sing	1.46Å	1.50Å
SB	O9	doub	1.78Å	1.99Å
SB	O10	sing	2.04Å	1.98Å
SB	O11	sing	2.04Å	1.98Å
C15	O16	doub	1.22Å	1.27Å
C15	O17	sing	1.35Å	1.26Å
C3	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C1	H6	sing	1.08Å	1.08Å
C5	H8	sing	1.08Å	1.08Å
O17	H12	sing	0.97Å	0.95Å
O10	H7	sing	0.97Å	0.95Å
O11	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C3	C4	121.7°	119.8°
C3	C2	C7	118.9°	119.6°
C3	C2	C1	117.3°	120.2°
C2	C3	H1	119.2°	120.1°
C3	C4	C5	120.7°	120.2°
C3	C4	SB	114.3°	119.9°
C4	C3	H1	119.1°	120.1°
C7	C2	C1	123.8°	120.2°
C2	C7	C6	119.7°	119.9°
C2	C7	H2	120.2°	120.0°
C2	C1	C14	123.7°	120.0°
C2	C1	H6	118.2°	120.0°
C7	C6	C5	121.1°	120.2°
C6	C7	H2	120.2°	120.1°
C7	C6	H3	119.5°	119.9°
C6	C5	C4	117.9°	120.3°
C5	C6	H3	119.5°	119.9°
C6	C5	H8	121.0°	119.9°
C5	C4	SB	125.0°	119.9°
C4	C5	H8	121.0°	119.8°
C4	SB	O9	109.0°	109.5°
C4	SB	O10	107.8°	109.5°
C4	SB	O11	110.7°	109.5°
C1	C14	C15	123.6°	120.0°
C1	C14	H4	118.2°	120.0°
C14	C1	H6	118.2°	120.0°
C14	C15	O16	120.2°	120.0°
C14	C15	O17	120.0°	120.0°
C15	C14	H4	118.2°	120.0°
O9	SB	O10	109.2°	109.5°
O9	SB	O11	104.8°	109.5°
O10	SB	O11	115.3°	109.5°
SB	O10	H7	109.5°	114.0°
SB	O11	H5	109.5°	114.0°
O16	C15	O17	119.7°	120.0°
C15	O17	H12	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C3	C4	H1	180.0°	179.7°
C3	C2	C7	C1	179.6°	179.9°
C3	C2	C7	C6	0.4°	0.1°
C2	C3	C4	C5	1.4°	0.1°
C2	C3	C4	SB	178.2°	180.0°
C3	C2	C1	C14	50.0°	132.0°
C3	C2	C7	H2	179.6°	180.0°
C3	C2	C1	H6	130.0°	48.0°
C4	C3	C2	C7	1.1°	0.0°
C4	C3	C2	C1	178.6°	180.0°
C3	C4	C5	C6	1.0°	0.1°
C3	C4	C5	SB	179.6°	179.9°
C3	C4	SB	O9	57.9°	90.0°
C3	C4	SB	O10	60.6°	150.0°
C3	C4	SB	O11	172.6°	30.0°
C3	C4	C5	H8	179.0°	180.0°
C2	C7	C6	H2	180.0°	179.9°
C2	C7	C6	C5	0.0°	0.1°
C7	C2	C1	C14	129.6°	48.0°
C7	C2	C3	H1	178.9°	179.8°
C2	C7	C6	H3	180.0°	180.0°
C7	C2	C1	H6	50.3°	131.9°
C1	C2	C7	C6	179.3°	180.0°
C2	C1	C14	H6	180.0°	180.0°
C2	C1	C14	C15	34.9°	11.3°
C1	C2	C3	H1	1.4°	0.3°
C1	C2	C7	H2	0.8°	0.1°
C2	C1	C14	H4	145.2°	168.7°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	C4	0.3°	0.2°
C7	C6	C5	H8	179.7°	180.0°
C6	C5	C4	H8	180.0°	179.9°
C6	C5	C4	SB	178.6°	179.9°
C5	C6	C7	H2	179.9°	180.0°
C5	C4	SB	O9	121.8°	89.9°
C5	C4	SB	O10	119.8°	30.0°
C5	C4	SB	O11	7.1°	150.0°
C5	C4	C3	H1	178.6°	179.8°
C4	C5	C6	H3	179.7°	179.9°
C4	SB	O9	O10	117.5°	120.0°
C4	SB	O9	O11	118.5°	120.0°
C4	SB	O10	O11	124.2°	120.0°
SB	C4	C3	H1	1.8°	0.2°
SB	C4	C5	H8	1.4°	0.1°
C4	SB	O10	H7	180.0°	60.0°
C4	SB	O11	H5	180.0°	180.0°
C1	C14	C15	H4	180.0°	180.0°
C1	C14	C15	O16	74.9°	6.7°
C1	C14	C15	O17	103.5°	173.3°
C14	C15	O16	O17	178.4°	180.0°
C15	C14	C1	H6	145.2°	168.8°
C14	C15	O17	H12	178.4°	180.0°
O9	SB	O10	O11	117.6°	120.0°
O9	SB	O10	H7	61.8°	180.0°
O9	SB	O11	H5	62.7°	60.0°
O10	SB	O11	H5	57.4°	60.0°
O11	SB	O10	H7	55.8°	60.0°
O16	C15	C14	H4	105.1°	173.3°
O16	C15	O17	H12	0.0°	0.0°
O17	C15	C14	H4	76.5°	6.7°
H2	C7	C6	H3	0.0°	0.1°
H3	C6	C5	H8	0.3°	0.1°
H4	C14	C1	H6	34.8°	11.2°

223532

PDB entries from 2024-08-07

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