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Summary Geometry Related PDB entries

A1ICA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.41Å
C2	C3	doub	1.33Å	1.32Å
C3	C4	sing	1.48Å	1.46Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C4	C9	sing	1.40Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.37Å	Aromatic
C7	CL1	sing	1.74Å	1.73Å
C1	O1	sing	1.43Å	1.27Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
O1	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.9°	120.0°
C2	C1	O1	122.1°	109.5°
C2	C1	H1	106.2°	109.5°
C2	C1	H2	106.2°	109.5°
C1	C2	H3	119.5°	120.0°
C2	C3	C4	125.1°	120.0°
C3	C2	H3	119.6°	120.0°
C2	C3	H4	117.4°	120.0°
C3	C4	C5	123.8°	120.2°
C3	C4	C9	118.4°	120.1°
C4	C3	H4	117.4°	120.0°
C5	C4	C9	117.7°	119.7°
C4	C5	C6	120.9°	119.9°
C4	C5	H5	119.6°	120.0°
C4	C9	C8	121.7°	119.9°
C4	C9	H8	119.2°	120.0°
C5	C6	C7	119.2°	120.1°
C6	C5	H5	119.6°	120.1°
C5	C6	H6	120.4°	119.9°
C9	C8	C7	118.9°	120.1°
C9	C8	H7	120.6°	120.0°
C8	C9	H8	119.1°	120.1°
C6	C7	C8	121.5°	120.3°
C6	C7	CL1	119.7°	119.9°
C7	C6	H6	120.4°	120.0°
C8	C7	CL1	118.8°	119.9°
C7	C8	H7	120.5°	119.9°
O1	C1	H1	106.3°	109.4°
O1	C1	H2	106.2°	109.5°
C1	O1	H9	109.5°	114.0°
H1	C1	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H3	180.0°	179.9°
C1	C2	C3	C4	177.2°	180.0°
C2	C1	O1	H1	121.7°	120.0°
C2	C1	O1	H2	121.7°	120.1°
C2	C1	H1	H2	114.3°	120.0°
C1	C2	C3	H4	2.8°	0.1°
C2	C1	O1	H9	180.0°	180.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	168.9°	180.0°
C2	C3	C4	C9	7.7°	0.3°
C3	C2	C1	O1	178.2°	135.0°
C3	C2	C1	H1	60.1°	105.1°
C3	C2	C1	H2	56.4°	15.0°
C3	C4	C5	C9	176.6°	179.7°
C3	C4	C5	C6	179.5°	180.0°
C3	C4	C9	C8	177.3°	179.7°
C4	C3	C2	H3	2.8°	0.0°
C3	C4	C5	H5	0.5°	0.0°
C3	C4	C9	H8	2.7°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C5	C4	C9	C8	0.5°	0.6°
C4	C5	C6	C7	2.7°	0.0°
C5	C4	C3	H4	11.1°	0.0°
C4	C5	C6	H6	177.3°	180.0°
C5	C4	C9	H8	179.5°	179.7°
C9	C4	C5	C6	2.9°	0.3°
C4	C9	C8	H8	180.0°	179.7°
C4	C9	C8	C7	2.1°	0.5°
C9	C4	C3	H4	172.3°	179.7°
C9	C4	C5	H5	177.1°	179.7°
C4	C9	C8	H7	177.9°	179.7°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.1°	0.1°
C5	C6	C7	CL1	179.9°	180.0°
C9	C8	C7	C6	2.3°	0.2°
C9	C8	C7	H7	180.0°	179.8°
C9	C8	C7	CL1	177.8°	179.7°
C6	C7	C8	CL1	179.9°	179.9°
C7	C6	C5	H5	177.3°	180.0°
C6	C7	C8	H7	177.7°	180.0°
C8	C7	C6	H6	179.9°	179.9°
C7	C8	C9	H8	177.9°	179.8°
CL1	C7	C6	H6	0.2°	0.0°
CL1	C7	C8	H7	2.2°	0.1°
O1	C1	H1	H2	114.4°	120.0°
O1	C1	C2	H3	1.8°	44.9°
H1	C1	C2	H3	119.9°	75.0°
H1	C1	O1	H9	58.3°	60.0°
H2	C1	C2	H3	123.6°	165.0°
H2	C1	O1	H9	58.3°	60.0°
H3	C2	C3	H4	177.2°	180.0°
H5	C5	C6	H6	2.8°	0.0°
H7	C8	C9	H8	2.1°	0.0°

250359

PDB entries from 2026-03-11

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