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Summary Geometry Related PDB entries

ILW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C4	sing	1.36Å	1.36Å
O9	C10	sing	1.43Å	1.43Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
O7	C8	sing	1.43Å	1.44Å
O7	C2	sing	1.36Å	1.36Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.39Å	Aromatic
C6	O11	sing	1.36Å	1.36Å
C12	O11	sing	1.43Å	1.43Å
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	O9	C10	112.6°	117.0°
O9	C4	C3	120.0°	120.0°
O9	C4	C5	120.6°	120.0°
O9	C10	H5	109.5°	109.5°
O9	C10	H6	109.5°	109.5°
O9	C10	H7	109.5°	109.5°
C4	C3	C2	120.9°	120.0°
C3	C4	C5	119.4°	120.1°
C4	C3	H12	119.5°	120.0°
C3	C2	O7	120.5°	120.0°
C3	C2	C1	119.5°	120.0°
C2	C3	H12	119.5°	120.0°
C8	O7	C2	113.4°	117.0°
O7	C8	H2	109.5°	109.5°
O7	C8	H3	109.5°	109.4°
O7	C8	H4	109.5°	109.4°
O7	C2	C1	120.0°	120.0°
C4	C5	C6	119.9°	119.9°
C4	C5	H1	120.1°	120.0°
C2	C1	C6	119.8°	120.0°
C2	C1	H11	120.1°	120.0°
C5	C6	C1	120.5°	120.0°
C5	C6	O11	119.8°	119.9°
C6	C5	H1	120.1°	120.1°
C1	C6	O11	119.7°	120.0°
C6	C1	H11	120.1°	120.0°
C6	O11	C12	110.4°	117.0°
O11	C12	H8	109.5°	109.5°
O11	C12	H9	109.5°	109.5°
O11	C12	H10	109.4°	109.5°
H2	C8	H3	109.5°	109.5°
H2	C8	H4	109.4°	109.5°
H3	C8	H4	109.5°	109.4°
H5	C10	H6	109.4°	109.5°
H5	C10	H7	109.5°	109.5°
H6	C10	H7	109.5°	109.4°
H8	C12	H9	109.5°	109.5°
H8	C12	H10	109.5°	109.4°
H9	C12	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C4	C3	C5	179.7°	179.8°
O9	C4	C3	C2	179.9°	179.7°
O9	C4	C5	C6	180.0°	179.8°
O9	C4	C5	H1	0.0°	0.2°
C4	O9	C10	H5	180.0°	180.0°
C4	O9	C10	H6	60.0°	60.0°
C4	O9	C10	H7	60.0°	60.0°
O9	C4	C3	H12	0.1°	0.2°
C10	O9	C4	C3	110.8°	0.2°
C10	O9	C4	C5	69.5°	180.0°
O9	C10	H5	H6	120.0°	120.0°
O9	C10	H5	H7	120.0°	120.0°
O9	C10	H6	H7	120.0°	120.0°
C4	C3	C2	H12	180.0°	179.9°
C4	C3	C2	O7	180.0°	180.0°
C4	C3	C2	C1	0.4°	0.0°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	H1	179.8°	180.0°
C3	C2	O7	C8	66.9°	0.0°
C3	C2	O7	C1	179.6°	180.0°
C2	C3	C4	C5	0.3°	0.1°
C3	C2	C1	C6	0.2°	0.0°
C3	C2	C1	H11	179.8°	180.0°
C8	O7	C2	C1	113.5°	180.0°
O7	C8	H2	H3	120.0°	120.0°
O7	C8	H2	H4	120.0°	120.0°
O7	C8	H3	H4	120.0°	119.9°
O7	C2	C1	C6	179.8°	180.0°
C2	O7	C8	H2	180.0°	179.9°
C2	O7	C8	H3	60.0°	60.0°
C2	O7	C8	H4	60.0°	59.9°
O7	C2	C1	H11	0.1°	0.0°
O7	C2	C3	H12	0.1°	0.0°
C4	C5	C6	H1	180.0°	180.0°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	O11	179.8°	180.0°
C5	C4	C3	H12	179.7°	180.0°
C2	C1	C6	C5	0.1°	0.1°
C2	C1	C6	H11	180.0°	179.9°
C2	C1	C6	O11	179.8°	180.0°
C1	C2	C3	H12	179.7°	180.0°
C5	C6	C1	O11	180.0°	179.9°
C5	C6	O11	C12	96.6°	180.0°
C5	C6	C1	H11	179.9°	180.0°
C1	C6	O11	C12	83.5°	0.1°
C1	C6	C5	H1	179.9°	179.9°
O11	C6	C5	H1	0.1°	0.0°
C6	O11	C12	H8	180.0°	60.1°
C6	O11	C12	H9	60.0°	60.0°
C6	O11	C12	H10	60.0°	180.0°
O11	C6	C1	H11	0.2°	0.1°
O11	C12	H8	H9	120.0°	120.0°
O11	C12	H8	H10	120.0°	120.0°
O11	C12	H9	H10	120.0°	120.0°
H2	C8	H3	H4	119.9°	120.0°
H5	C10	H6	H7	120.0°	120.0°
H8	C12	H9	H10	120.0°	119.9°

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