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Summary Geometry Related PDB entries

A1CU2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.47Å
N1	C2	sing	1.35Å	1.35Å
C2	N2	sing	1.35Å	1.32Å
C2	S1	doub	1.71Å	1.68Å
N1	C3	sing	1.40Å	1.44Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C3	C8	sing	1.39Å	1.41Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
N2	H4	sing	0.97Å	1.00Å
N2	H5	sing	0.97Å	1.00Å
C4	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	120.0°	120.0°
C1	N1	C3	116.8°	120.0°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.4°
N1	C1	H3	109.5°	109.4°
N1	C2	N2	116.3°	120.0°
N1	C2	S1	123.0°	120.0°
C2	N1	C3	123.3°	120.0°
N2	C2	S1	120.7°	120.0°
C2	N2	H4	120.0°	120.0°
C2	N2	H5	120.0°	120.0°
N1	C3	C4	120.8°	120.1°
N1	C3	C8	121.5°	120.1°
C3	C4	C5	120.9°	119.9°
C4	C3	C8	117.6°	119.8°
C3	C4	H6	119.6°	120.1°
C4	C5	C6	120.5°	120.1°
C5	C4	H6	119.6°	120.0°
C4	C5	H7	119.7°	120.0°
C5	C6	C7	119.9°	120.1°
C6	C5	H7	119.8°	120.0°
C5	C6	H8	120.0°	119.9°
C6	C7	C8	120.8°	120.1°
C6	C7	H9	119.6°	120.0°
C7	C6	H8	120.1°	120.0°
C7	C8	C3	120.4°	120.0°
C8	C7	H9	119.6°	119.9°
C7	C8	H10	119.8°	120.0°
C3	C8	H10	119.8°	120.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.4°
H4	N2	H5	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C3	179.3°	180.0°
C1	N1	C2	N2	0.7°	5.0°
C1	N1	C2	S1	179.0°	174.9°
C1	N1	C3	C4	65.1°	110.9°
C1	N1	C3	C8	113.4°	69.1°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	119.9°
N1	C2	N2	S1	179.7°	180.0°
C2	N1	C3	C4	114.2°	69.0°
C2	N1	C3	C8	67.2°	110.9°
C2	N1	C1	H1	180.0°	90.0°
C2	N1	C1	H2	60.0°	150.0°
C2	N1	C1	H3	60.0°	30.1°
N1	C2	N2	H4	179.7°	180.0°
N1	C2	N2	H5	0.3°	0.0°
N2	C2	N1	C3	180.0°	175.0°
C2	N2	H4	H5	180.0°	179.9°
S1	C2	N1	C3	0.3°	5.0°
S1	C2	N2	H4	0.0°	0.0°
S1	C2	N2	H5	180.0°	180.0°
N1	C3	C4	C8	178.6°	180.0°
N1	C3	C4	C5	179.0°	180.0°
N1	C3	C8	C7	179.0°	180.0°
C3	N1	C1	H1	0.6°	90.0°
C3	N1	C1	H2	119.4°	30.0°
C3	N1	C1	H3	120.6°	149.9°
N1	C3	C8	H10	1.0°	0.0°
N1	C3	C4	H6	1.0°	0.0°
C3	C4	C5	H6	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.2°
C4	C3	C8	C7	0.5°	0.0°
C4	C3	C8	H10	179.6°	179.9°
C3	C4	C5	H7	179.7°	180.0°
C4	C5	C6	H7	180.0°	179.8°
C4	C5	C6	C7	1.0°	0.5°
C5	C4	C3	C8	0.5°	0.0°
C4	C5	C6	H8	179.0°	180.0°
C5	C6	C7	H8	180.0°	179.5°
C5	C6	C7	C8	1.0°	0.5°
C5	C6	C7	H9	179.0°	179.8°
C6	C5	C4	H6	179.7°	179.7°
C6	C7	C8	H9	180.0°	179.7°
C6	C7	C8	C3	0.3°	0.3°
C6	C7	C8	H10	179.7°	179.8°
C7	C6	C5	H7	179.0°	179.7°
C7	C8	C3	H10	180.0°	179.9°
C8	C7	C6	H8	179.0°	180.0°
C3	C8	C7	H9	179.7°	180.0°
C8	C3	C4	H6	179.5°	180.0°
H1	C1	H2	H3	120.0°	120.1°
H9	C7	C8	H10	0.3°	0.1°
H9	C7	C6	H8	1.0°	0.3°
H6	C4	C5	H7	0.2°	0.1°
H7	C5	C6	H8	1.0°	0.2°

249697

PDB entries from 2026-02-25

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