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Summary Geometry Related PDB entries

FIV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C11	doub	1.22Å	1.25Å
O1	C11	sing	1.35Å	1.25Å
C11	C7	sing	1.48Å	1.50Å
C7	C5	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.41Å	1.39Å	Aromatic
C5	C2	sing	1.40Å	1.40Å	Aromatic
C8	C3	doub	1.36Å	1.39Å	Aromatic
C2	C6	doub	1.41Å	1.40Å	Aromatic
C2	C1	sing	1.42Å	1.41Å	Aromatic
C3	C1	sing	1.41Å	1.41Å	Aromatic
C6	C10	sing	1.36Å	1.40Å	Aromatic
C1	C4	doub	1.40Å	1.41Å	Aromatic
C10	C9	doub	1.39Å	1.40Å	Aromatic
C4	C9	sing	1.36Å	1.40Å	Aromatic
O1	H1	sing	0.97Å	0.95Å
C8	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C4	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C11	O1	121.3°	120.0°
O2	C11	C7	119.2°	120.0°
O1	C11	C7	119.5°	120.0°
C11	O1	H1	109.5°	117.0°
C11	C7	C5	120.2°	119.8°
C11	C7	C8	119.5°	119.8°
C5	C7	C8	120.3°	120.5°
C7	C5	C2	120.3°	119.5°
C7	C5	H4	119.9°	120.2°
C7	C8	C3	119.8°	120.9°
C7	C8	H2	120.1°	119.6°
C5	C2	C6	121.0°	121.1°
C5	C2	C1	119.6°	119.5°
C2	C5	H4	119.8°	120.3°
C8	C3	C1	120.6°	120.1°
C3	C8	H2	120.1°	119.6°
C8	C3	H3	119.7°	120.0°
C6	C2	C1	119.5°	119.4°
C2	C6	C10	120.2°	119.6°
C2	C6	H5	119.9°	120.2°
C2	C1	C3	119.5°	119.6°
C2	C1	C4	120.0°	119.3°
C3	C1	C4	120.5°	121.1°
C1	C3	H3	119.7°	119.9°
C6	C10	C9	120.5°	121.0°
C10	C6	H5	119.9°	120.2°
C6	C10	H6	119.8°	119.5°
C1	C4	C9	120.0°	119.8°
C1	C4	H8	120.0°	120.1°
C10	C9	C4	119.8°	121.0°
C9	C10	H6	119.7°	119.5°
C10	C9	H7	120.1°	119.5°
C4	C9	H7	120.1°	119.5°
C9	C4	H8	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C11	O1	C7	179.0°	179.7°
O2	C11	C7	C5	10.4°	0.1°
O2	C11	C7	C8	169.8°	179.8°
O2	C11	O1	H1	0.0°	0.0°
O1	C11	C7	C5	168.6°	179.8°
O1	C11	C7	C8	11.2°	0.1°
C11	C7	C5	C8	179.8°	179.8°
C11	C7	C5	C2	179.5°	180.0°
C11	C7	C8	C3	179.6°	180.0°
C7	C11	O1	H1	179.0°	179.7°
C11	C7	C8	H2	0.3°	0.0°
C11	C7	C5	H4	0.6°	0.1°
C7	C5	C2	H4	180.0°	179.9°
C5	C7	C8	C3	0.1°	0.2°
C7	C5	C2	C6	179.6°	180.0°
C7	C5	C2	C1	0.2°	0.0°
C5	C7	C8	H2	179.9°	179.8°
C8	C7	C5	C2	0.3°	0.2°
C7	C8	C3	H2	180.0°	180.0°
C7	C8	C3	C1	0.2°	0.0°
C7	C8	C3	H3	179.8°	180.0°
C8	C7	C5	H4	179.7°	179.7°
C5	C2	C6	C1	179.8°	180.0°
C5	C2	C1	C3	0.1°	0.3°
C5	C2	C6	C10	179.8°	179.9°
C5	C2	C1	C4	180.0°	179.9°
C5	C2	C6	H5	0.1°	0.0°
C8	C3	C1	C2	0.3°	0.3°
C8	C3	C1	H3	180.0°	180.0°
C8	C3	C1	C4	179.8°	179.9°
C6	C2	C1	C3	179.9°	179.7°
C2	C6	C10	H5	180.0°	179.9°
C6	C2	C1	C4	0.2°	0.1°
C2	C6	C10	C9	0.3°	0.1°
C6	C2	C5	H4	0.4°	0.0°
C2	C6	C10	H6	179.7°	180.0°
C2	C1	C3	C4	179.9°	179.6°
C1	C2	C6	C10	0.1°	0.0°
C2	C1	C4	C9	0.0°	0.1°
C2	C1	C3	H3	179.7°	179.7°
C1	C2	C5	H4	179.8°	180.0°
C1	C2	C6	H5	179.9°	180.0°
C2	C1	C4	H8	180.0°	179.9°
C3	C1	C4	C9	179.9°	179.8°
C1	C3	C8	H2	179.8°	180.0°
C3	C1	C4	H8	0.1°	0.3°
C6	C10	C9	H6	180.0°	179.9°
C6	C10	C9	C4	0.5°	0.1°
C6	C10	C9	H7	179.5°	180.0°
C1	C4	C9	C10	0.3°	0.1°
C1	C4	C9	H8	180.0°	180.0°
C4	C1	C3	H3	0.2°	0.1°
C1	C4	C9	H7	179.7°	180.0°
C10	C9	C4	H7	180.0°	179.9°
C9	C10	C6	H5	179.8°	180.0°
C10	C9	C4	H8	179.7°	179.9°
C4	C9	C10	H6	179.5°	180.0°
H2	C8	C3	H3	0.2°	0.0°
H5	C6	C10	H6	0.3°	0.1°
H6	C10	C9	H7	0.5°	0.1°
H7	C9	C4	H8	0.3°	0.0°

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