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Summary Geometry Related PDB entries

4FE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	O4	sing	1.43Å	1.42Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å
C5	O4	sing	1.36Å	1.36Å
C1	C5	doub	1.39Å	1.36Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C2	C7	sing	1.40Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C3	C2	doub	1.40Å	1.40Å	Aromatic
C10	C2	sing	1.47Å	1.45Å
C3	C1	sing	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
O3	C1	sing	1.36Å	1.36Å
O3	HO3	sing	0.97Å	0.95Å
C4	C10	doub	1.35Å	1.35Å
C10	H10	sing	1.08Å	1.08Å
C9	C4	sing	1.42Å	1.42Å
C4	H4	sing	1.08Å	1.08Å
O2	C9	doub	1.22Å	1.35Å
C9	O1	sing	1.35Å	1.22Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C8	H8	109.5°	109.5°
O4	C8	H8A	109.5°	109.5°
O4	C8	H8B	109.5°	109.5°
C8	O4	C5	107.0°	117.0°
H8	C8	H8A	109.5°	109.4°
H8	C8	H8B	109.5°	109.5°
H8A	C8	H8B	109.4°	109.5°
O4	C5	C1	119.2°	119.9°
O4	C5	C6	119.9°	119.9°
C1	C5	C6	120.9°	120.2°
C5	C1	C3	120.1°	120.0°
C5	C1	O3	120.1°	120.0°
C5	C6	C7	120.1°	120.2°
C5	C6	H6	120.0°	119.9°
C7	C6	H6	119.9°	119.9°
C6	C7	C2	120.1°	119.9°
C6	C7	H7	120.0°	120.0°
C2	C7	H7	119.9°	120.1°
C7	C2	C3	119.8°	119.9°
C7	C2	C10	120.0°	120.0°
C3	C2	C10	120.2°	120.1°
C2	C3	C1	119.0°	119.8°
C2	C3	H3	120.5°	120.1°
C2	C10	C4	120.8°	120.1°
C2	C10	H10	119.6°	120.0°
C1	C3	H3	120.5°	120.0°
C3	C1	O3	119.8°	120.0°
C1	O3	HO3	109.5°	114.0°
C4	C10	H10	119.7°	120.0°
C10	C4	C9	119.6°	120.0°
C10	C4	H4	120.2°	120.0°
C9	C4	H4	120.2°	120.0°
C4	C9	O2	120.3°	120.0°
C4	C9	O1	119.7°	119.9°
O2	C9	O1	120.0°	120.0°
C9	O1	HO1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C8	H8	H8A	120.0°	120.0°
O4	C8	H8	H8B	120.0°	120.0°
O4	C8	H8A	H8B	120.0°	120.0°
C8	O4	C5	C1	105.3°	179.7°
C8	O4	C5	C6	74.9°	0.0°
H8	C8	H8A	H8B	120.0°	120.0°
H8	C8	O4	C5	78.2°	180.0°
H8A	C8	O4	C5	161.8°	60.0°
H8B	C8	O4	C5	41.9°	60.0°
O4	C5	C1	C6	179.9°	179.8°
O4	C5	C6	C7	179.9°	180.0°
O4	C5	C6	H6	0.1°	0.0°
O4	C5	C1	C3	180.0°	179.8°
O4	C5	C1	O3	0.1°	0.2°
C1	C5	C6	C7	0.0°	0.2°
C1	C5	C6	H6	180.0°	179.8°
C5	C1	C3	C2	0.1°	0.5°
C5	C1	C3	O3	179.9°	179.6°
C5	C1	C3	H3	179.9°	179.7°
C5	C1	O3	HO3	41.7°	90.4°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C2	0.0°	0.0°
C5	C6	C7	H7	180.0°	180.0°
C6	C5	C1	C3	0.1°	0.5°
C6	C5	C1	O3	180.0°	180.0°
C6	C7	C2	H7	180.0°	179.9°
C6	C7	C2	C3	0.1°	0.0°
C6	C7	C2	C10	179.9°	180.0°
H6	C6	C7	C2	180.0°	180.0°
H6	C6	C7	H7	0.0°	0.0°
C7	C2	C3	C10	180.0°	180.0°
C7	C2	C3	C1	0.0°	0.3°
C7	C2	C3	H3	180.0°	180.0°
C7	C2	C10	C4	179.7°	0.0°
C7	C2	C10	H10	0.3°	180.0°
H7	C7	C2	C3	179.9°	179.9°
H7	C7	C2	C10	0.1°	0.0°
C2	C3	C1	H3	180.0°	179.7°
C2	C3	C1	O3	180.0°	179.9°
C3	C2	C10	C4	0.3°	179.9°
C3	C2	C10	H10	179.7°	0.0°
C10	C2	C3	C1	180.0°	179.8°
C10	C2	C3	H3	0.0°	0.0°
C2	C10	C4	H10	180.0°	179.9°
C2	C10	C4	C9	179.7°	180.0°
C2	C10	C4	H4	0.3°	0.1°
C3	C1	O3	HO3	138.4°	90.0°
H3	C3	C1	O3	0.0°	0.2°
C10	C4	C9	H4	180.0°	179.9°
C10	C4	C9	O2	179.8°	0.1°
C10	C4	C9	O1	0.3°	180.0°
H10	C10	C4	C9	0.3°	0.1°
H10	C10	C4	H4	179.7°	180.0°
C4	C9	O2	O1	179.9°	180.0°
C4	C9	O1	HO1	180.0°	180.0°
H4	C4	C9	O2	0.2°	180.0°
H4	C4	C9	O1	179.8°	0.0°
O2	C9	O1	HO1	0.0°	0.0°

219869

PDB entries from 2024-05-15

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