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Summary Geometry Related PDB entries

A1CXB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.43Å
O1	C2	sing	1.36Å	1.37Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C2	C7	sing	1.39Å	1.39Å	Aromatic
C5	C8	sing	1.48Å	1.47Å
C8	C9	doub	1.36Å	1.37Å	Aromatic
C9	N1	sing	1.37Å	1.36Å	Aromatic
N1	C10	sing	1.35Å	1.34Å	Aromatic
C10	N2	doub	1.30Å	1.32Å	Aromatic
C8	N2	sing	1.35Å	1.38Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
N1	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C2	117.8°	117.0°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.4°	109.4°
O1	C1	H3	109.5°	109.5°
O1	C2	C3	119.6°	119.9°
O1	C2	C7	120.7°	120.0°
C2	C3	C4	120.0°	120.1°
C3	C2	C7	119.7°	120.1°
C2	C3	H4	120.0°	120.0°
C3	C4	C5	121.2°	119.9°
C4	C3	H4	120.0°	120.0°
C3	C4	H5	119.4°	120.1°
C4	C5	C6	118.0°	119.9°
C4	C5	C8	121.0°	120.0°
C5	C4	H5	119.4°	120.0°
C5	C6	C7	121.2°	120.0°
C6	C5	C8	120.9°	120.1°
C5	C6	H6	119.4°	120.0°
C6	C7	C2	119.9°	120.1°
C7	C6	H6	119.4°	120.1°
C6	C7	H7	120.0°	120.0°
C2	C7	H7	120.0°	119.9°
C5	C8	C9	128.6°	126.1°
C5	C8	N2	122.2°	126.2°
C8	C9	N1	106.5°	106.7°
C9	C8	N2	109.2°	107.7°
C8	C9	H8	126.8°	126.7°
C9	N1	C10	106.9°	107.4°
N1	C9	H8	126.8°	126.7°
C9	N1	H9	126.5°	126.3°
N1	C10	N2	112.3°	109.0°
N1	C10	H10	123.9°	125.5°
C10	N1	H9	126.5°	126.3°
C10	N2	C8	105.1°	109.2°
N2	C10	H10	123.8°	125.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C2	C3	164.4°	180.0°
C1	O1	C2	C7	15.5°	0.3°
O1	C1	H1	H2	120.0°	119.9°
O1	C1	H1	H3	120.0°	120.1°
O1	C1	H2	H3	120.0°	120.0°
O1	C2	C3	C7	179.9°	179.8°
O1	C2	C3	C4	180.0°	179.8°
O1	C2	C7	C6	179.7°	179.8°
C2	O1	C1	H1	180.0°	60.1°
C2	O1	C1	H2	60.0°	180.0°
C2	O1	C1	H3	60.0°	60.1°
O1	C2	C3	H4	0.0°	0.3°
O1	C2	C7	H7	0.3°	0.2°
C2	C3	C4	H4	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.0°
C3	C2	C7	C6	0.4°	0.0°
C2	C3	C4	H5	180.0°	180.0°
C3	C2	C7	H7	179.6°	180.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C4	C3	C2	C7	0.1°	0.0°
C3	C4	C5	C8	179.8°	180.0°
C4	C5	C6	C8	179.8°	180.0°
C4	C5	C6	C7	0.3°	0.0°
C4	C5	C8	C9	3.1°	179.9°
C4	C5	C8	N2	176.2°	0.5°
C5	C4	C3	H4	180.0°	179.9°
C4	C5	C6	H6	179.7°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C2	0.5°	0.0°
C6	C5	C8	C9	177.1°	0.1°
C6	C5	C8	N2	3.6°	179.5°
C6	C5	C4	H5	179.9°	180.0°
C5	C6	C7	H7	179.5°	180.0°
C6	C7	C2	H7	180.0°	180.0°
C7	C6	C5	C8	179.5°	180.0°
C7	C2	C3	H4	179.9°	179.9°
C2	C7	C6	H6	179.5°	180.0°
C5	C8	C9	N2	179.4°	179.6°
C5	C8	C9	N1	179.7°	179.9°
C5	C8	N2	C10	179.8°	179.9°
C8	C5	C4	H5	0.2°	0.0°
C8	C5	C6	H6	0.5°	0.0°
C5	C8	C9	H8	0.4°	0.1°
C8	C9	N1	H8	180.0°	179.9°
C8	C9	N1	C10	0.1°	0.3°
C9	C8	N2	C10	0.3°	0.5°
C8	C9	N1	H9	180.0°	179.7°
C9	N1	C10	H9	180.0°	180.0°
C9	N1	C10	N2	0.1°	0.0°
N1	C9	C8	N2	0.2°	0.5°
C9	N1	C10	H10	179.9°	179.7°
N1	C10	N2	H10	180.0°	179.7°
N1	C10	N2	C8	0.2°	0.3°
C10	N1	C9	H8	179.9°	179.8°
N2	C10	N1	H9	179.9°	180.0°
C8	N2	C10	H10	179.8°	180.0°
N2	C8	C9	H8	179.8°	179.6°
H10	C10	N1	H9	0.1°	0.3°
H1	C1	H2	H3	120.0°	120.0°
H4	C3	C4	H5	0.0°	0.1°
H6	C6	C7	H7	0.5°	0.0°
H8	C9	N1	H9	0.0°	0.2°

250359

PDB entries from 2026-03-11

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