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Summary Geometry Related PDB entries

FIC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O12	sing	1.35Å	1.23Å
O12	HO12	sing	0.97Å	0.95Å
O11	C10	doub	1.22Å	1.23Å
C2	C10	sing	1.47Å	1.47Å
N1	C2	sing	1.38Å	1.37Å	Aromatic
C2	C3	doub	1.36Å	1.37Å	Aromatic
N1	C8	sing	1.38Å	1.37Å	Aromatic
C9	C3	sing	1.42Å	1.37Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C8	C9	doub	1.41Å	1.40Å	Aromatic
C9	C4	sing	1.40Å	1.41Å	Aromatic
C5	C4	doub	1.37Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C6	C5	sing	1.39Å	1.40Å	Aromatic
C5	F14	sing	1.35Å	1.35Å
C7	C6	doub	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
N1	HN1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O12	HO12	109.5°	117.0°
O12	C10	O11	120.9°	120.0°
O12	C10	C2	118.9°	120.0°
O11	C10	C2	120.2°	120.0°
C10	C2	N1	127.1°	125.4°
C10	C2	C3	124.5°	125.4°
N1	C2	C3	108.3°	109.2°
C2	N1	C8	107.7°	108.7°
C2	N1	HN1	126.2°	125.6°
C2	C3	C9	109.2°	107.7°
C2	C3	H3	125.4°	126.2°
N1	C8	C9	108.5°	107.4°
N1	C8	C7	132.6°	133.1°
C8	N1	HN1	126.1°	125.7°
C9	C3	H3	125.4°	126.1°
C3	C9	C8	106.3°	107.0°
C3	C9	C4	132.3°	133.3°
C8	C9	C4	121.4°	119.7°
C9	C8	C7	118.9°	119.5°
C9	C4	C5	119.6°	119.8°
C9	C4	H4	120.2°	120.1°
C5	C4	H4	120.2°	120.1°
C4	C5	C6	118.4°	120.5°
C4	C5	F14	121.4°	119.7°
C6	C5	F14	120.2°	119.7°
C5	C6	C7	122.2°	120.6°
C5	C6	H6	118.9°	119.6°
C7	C6	H6	118.9°	119.7°
C6	C7	C8	119.5°	119.8°
C6	C7	H7	120.3°	120.1°
C8	C7	H7	120.3°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C10	O11	C2	178.1°	180.0°
O12	C10	C2	N1	171.3°	0.3°
O12	C10	C2	C3	9.8°	180.0°
HO12	O12	C10	O11	0.0°	0.0°
HO12	O12	C10	C2	178.1°	180.0°
O11	C10	C2	N1	10.6°	179.7°
O11	C10	C2	C3	168.3°	0.0°
C10	C2	N1	C3	179.0°	179.7°
C10	C2	N1	C8	179.4°	180.0°
C10	C2	C3	C9	179.3°	180.0°
C10	C2	C3	H3	0.7°	0.1°
C10	C2	N1	HN1	0.7°	0.0°
C2	N1	C8	HN1	180.0°	180.0°
N1	C2	C3	C9	0.3°	0.2°
N1	C2	C3	H3	179.7°	179.7°
C2	N1	C8	C9	0.3°	0.1°
C2	N1	C8	C7	179.8°	179.5°
C3	C2	N1	C8	0.4°	0.2°
C2	C3	C9	H3	180.0°	179.9°
C2	C3	C9	C8	0.1°	0.2°
C2	C3	C9	C4	179.9°	180.0°
C3	C2	N1	HN1	179.7°	179.7°
N1	C8	C9	C3	0.1°	0.0°
N1	C8	C9	C7	179.9°	179.7°
N1	C8	C9	C4	179.9°	179.9°
N1	C8	C7	C6	179.9°	180.0°
N1	C8	C7	H7	0.1°	0.2°
C3	C9	C8	C4	180.0°	179.9°
C3	C9	C4	C5	179.9°	180.0°
C3	C9	C4	H4	0.1°	0.1°
C3	C9	C8	C7	180.0°	179.7°
H3	C3	C9	C8	179.9°	179.7°
H3	C3	C9	C4	0.1°	0.1°
C8	C9	C4	C5	0.1°	0.1°
C8	C9	C4	H4	179.9°	179.7°
C9	C8	C7	C6	0.1°	0.4°
C9	C8	C7	H7	179.9°	179.8°
C9	C8	N1	HN1	179.7°	179.9°
C9	C4	C5	H4	180.0°	179.9°
C9	C4	C5	C6	0.2°	0.1°
C9	C4	C5	F14	179.9°	180.0°
C4	C9	C8	C7	0.1°	0.4°
C4	C5	C6	F14	179.9°	179.9°
C4	C5	C6	C7	0.2°	0.1°
C4	C5	C6	H6	179.8°	179.9°
H4	C4	C5	C6	179.8°	180.0°
H4	C4	C5	F14	0.1°	0.1°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.1°	0.1°
C5	C6	C7	H7	179.9°	180.0°
F14	C5	C6	C7	179.9°	180.0°
F14	C5	C6	H6	0.1°	0.0°
C6	C7	C8	H7	180.0°	179.8°
H6	C6	C7	C8	179.9°	179.8°
H6	C6	C7	H7	0.1°	0.0°
C7	C8	N1	HN1	0.2°	0.5°

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