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Summary Geometry Related PDB entries

FCD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OA	CA	sing	1.36Å	1.34Å	Aromatic
OA	CD	sing	1.35Å	1.35Å	Aromatic
CA	C	sing	1.42Å	1.48Å
CA	CB	doub	1.38Å	1.41Å	Aromatic
C	OB	sing	1.37Å	1.24Å
C	OXT	doub	1.25Å	1.24Å
OB	HOB	sing	0.98Å	0.95Å
CB	CG	sing	1.42Å	1.40Å	Aromatic
CB	HB	sing	1.08Å	1.10Å
CG	CD	doub	1.37Å	1.41Å	Aromatic
CG	HG	sing	1.08Å	1.10Å
CD	C1	sing	1.45Å	1.46Å	Aromatic
C1	C2	doub	1.39Å	1.44Å	Aromatic
C1	C6	sing	1.39Å	1.43Å	Aromatic
C2	C3	sing	1.39Å	1.42Å	Aromatic
C2	H2	sing	1.09Å	1.10Å
C3	C4	doub	1.39Å	1.42Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.39Å	1.41Å	Aromatic
C4	H4	sing	1.09Å	1.10Å
C5	C6	doub	1.40Å	1.41Å	Aromatic
C5	H5	sing	1.09Å	1.10Å
C6	CL2	sing	1.73Å	8.92Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	OA	CD	110.6°	106.2°
OA	CA	C	123.3°	117.9°
OA	CA	CB	108.0°	110.6°
OA	CD	CG	108.1°	111.4°
OA	CD	C1	122.6°	115.0°
C	CA	CB	128.6°	131.5°
CA	C	OB	116.7°	113.7°
CA	C	OXT	119.9°	126.6°
CA	CB	CG	106.9°	106.1°
CA	CB	HB	126.7°	126.5°
OB	C	OXT	123.4°	119.7°
C	OB	HOB	116.7°	114.3°
CG	CB	HB	126.4°	127.4°
CB	CG	CD	106.4°	105.8°
CB	CG	HG	126.6°	127.3°
CD	CG	HG	127.1°	126.9°
CG	CD	C1	129.3°	133.7°
CD	C1	C2	123.4°	118.1°
CD	C1	C6	117.0°	121.8°
C2	C1	C6	119.6°	120.0°
C1	C2	C3	119.0°	120.0°
C1	C2	H2	121.3°	121.0°
C1	C6	C5	120.7°	120.0°
C1	C6	CL2	113.8°	122.1°
C3	C2	H2	119.7°	119.0°
C2	C3	C4	120.3°	120.0°
C2	C3	H3	119.8°	120.0°
C4	C3	H3	119.8°	120.0°
C3	C4	C5	121.2°	120.0°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	119.2°	120.0°
C4	C5	C6	119.2°	120.0°
C4	C5	H5	120.2°	119.1°
C6	C5	H5	120.6°	121.0°
C5	C6	CL2	97.6°	118.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OA	CA	C	CB	180.0°	180.0°
OA	CA	C	OB	0.2°	180.0°
OA	CA	C	OXT	180.0°	0.0°
OA	CA	CB	CG	0.1°	0.1°
OA	CA	CB	HB	179.9°	180.0°
CA	OA	CD	CG	0.0°	0.0°
CA	OA	CD	C1	179.6°	180.0°
CD	OA	CA	C	179.9°	180.0°
CD	OA	CA	CB	0.1°	0.0°
OA	CD	CG	CB	0.0°	0.0°
OA	CD	CG	C1	179.6°	180.0°
OA	CD	CG	HG	179.9°	179.9°
OA	CD	C1	C2	139.0°	90.0°
OA	CD	C1	C6	40.6°	90.0°
CA	C	OB	OXT	179.8°	180.0°
CA	C	OB	HOB	180.0°	180.0°
C	CA	CB	CG	179.9°	180.0°
C	CA	CB	HB	0.1°	0.1°
CB	CA	C	OB	179.9°	0.0°
CB	CA	C	OXT	0.0°	180.0°
CA	CB	CG	HB	180.0°	179.9°
CA	CB	CG	CD	0.1°	0.1°
CA	CB	CG	HG	179.9°	180.0°
OXT	C	OB	HOB	0.2°	0.0°
CB	CG	CD	HG	180.0°	179.9°
CB	CG	CD	C1	179.6°	179.9°
HB	CB	CG	CD	179.9°	180.0°
HB	CB	CG	HG	0.1°	0.1°
CG	CD	C1	C2	41.5°	90.0°
CG	CD	C1	C6	138.9°	90.0°
HG	CG	CD	C1	0.4°	0.0°
CD	C1	C2	C6	179.6°	180.0°
CD	C1	C2	C3	179.5°	180.0°
CD	C1	C2	H2	0.5°	0.0°
CD	C1	C6	C5	179.6°	180.0°
CD	C1	C6	CL2	64.1°	0.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	C5	0.0°	0.0°
C2	C1	C6	CL2	115.5°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C6	C1	C2	H2	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	CL2	123.5°	180.0°
C1	C6	C5	H5	179.9°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C2	C3	C4	H4	180.0°	180.0°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.0°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	H5	179.9°	180.0°
H3	C3	C4	C5	180.0°	180.0°
H3	C3	C4	H4	0.0°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	CL2	123.5°	180.0°
H4	C4	C5	C6	180.0°	180.0°
H4	C4	C5	H5	0.1°	0.0°
H5	C5	C6	CL2	56.5°	0.0°

218500

PDB entries from 2024-04-17

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