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Summary Geometry Related PDB entries

A1CVD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.40Å	1.37Å
C1	C2	doub	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.36Å	Aromatic
C3	C4	doub	1.39Å	1.38Å	Aromatic
C4	O1	sing	1.36Å	1.37Å
O1	C5	sing	1.36Å	1.40Å
C5	C6	doub	1.39Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.37Å	Aromatic
C5	C10	sing	1.39Å	1.38Å	Aromatic
C10	F1	sing	1.35Å	1.35Å
C4	N2	sing	1.32Å	1.32Å	Aromatic
N2	C11	doub	1.32Å	1.34Å	Aromatic
C1	C11	sing	1.39Å	1.40Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	122.3°	120.4°
N1	C1	C11	120.3°	120.4°
C1	N1	H1	109.5°	120.0°
C1	N1	H2	109.5°	120.0°
C1	C2	C3	120.0°	118.4°
C2	C1	C11	117.4°	119.1°
C1	C2	H3	120.0°	120.8°
C2	C3	C4	117.8°	119.2°
C3	C2	H3	120.0°	120.8°
C2	C3	H4	121.1°	120.4°
C3	C4	O1	116.4°	119.6°
C3	C4	N2	124.9°	120.8°
C4	C3	H4	121.1°	120.4°
C4	O1	C5	121.0°	118.0°
O1	C4	N2	118.7°	119.6°
O1	C5	C6	119.9°	120.1°
O1	C5	C10	121.2°	120.0°
C5	C6	C7	119.8°	120.0°
C6	C5	C10	118.9°	119.9°
C5	C6	H5	120.1°	120.0°
C6	C7	C8	120.3°	120.1°
C7	C6	H5	120.1°	120.0°
C6	C7	H6	119.8°	120.0°
C7	C8	C9	120.0°	120.1°
C8	C7	H6	119.9°	119.9°
C7	C8	H7	120.0°	120.0°
C8	C9	C10	119.0°	120.0°
C9	C8	H7	120.0°	119.9°
C8	C9	H8	120.5°	120.0°
C9	C10	C5	121.9°	119.9°
C9	C10	F1	119.6°	120.1°
C10	C9	H8	120.5°	120.0°
C5	C10	F1	118.5°	120.1°
C4	N2	C11	117.3°	121.8°
N2	C11	C1	122.6°	120.7°
N2	C11	H9	118.7°	119.7°
C1	C11	H9	118.7°	119.6°
H1	N1	H2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	C11	179.6°	179.8°
N1	C1	C2	C3	179.8°	180.0°
N1	C1	C11	N2	179.7°	180.0°
C1	N1	H1	H2	120.0°	179.7°
N1	C1	C2	H3	0.1°	0.1°
N1	C1	C11	H9	0.3°	0.2°
C1	C2	C3	H3	180.0°	179.9°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C11	N2	0.1°	0.3°
C2	C1	N1	H1	180.0°	0.0°
C2	C1	N1	H2	60.0°	179.7°
C1	C2	C3	H4	179.9°	180.0°
C2	C1	C11	H9	179.9°	180.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	O1	179.8°	179.9°
C2	C3	C4	N2	0.2°	0.2°
C3	C2	C1	C11	0.2°	0.3°
C3	C4	O1	N2	180.0°	179.7°
C3	C4	O1	C5	22.7°	174.9°
C3	C4	N2	C11	0.3°	0.3°
C4	C3	C2	H3	179.9°	179.9°
C4	O1	C5	C6	84.8°	94.3°
C4	O1	C5	C10	96.4°	85.4°
O1	C4	N2	C11	179.7°	179.9°
O1	C4	C3	H4	0.2°	0.1°
O1	C5	C6	C10	178.8°	179.7°
O1	C5	C6	C7	179.5°	179.7°
O1	C5	C10	C9	179.6°	179.7°
O1	C5	C10	F1	1.0°	0.3°
C5	O1	C4	N2	157.3°	5.4°
O1	C5	C6	H5	0.5°	0.3°
C5	C6	C7	H5	180.0°	180.0°
C5	C6	C7	C8	0.2°	0.0°
C6	C5	C10	C9	0.7°	0.0°
C6	C5	C10	F1	179.8°	180.0°
C5	C6	C7	H6	179.8°	180.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C5	C10	0.6°	0.0°
C6	C7	C8	H7	179.9°	180.0°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	C10	0.1°	0.0°
C8	C7	C6	H5	179.8°	180.0°
C7	C8	C9	H8	179.9°	179.9°
C8	C9	C10	H8	180.0°	179.9°
C8	C9	C10	C5	0.4°	0.1°
C8	C9	C10	F1	179.8°	180.0°
C9	C8	C7	H6	179.9°	180.0°
C9	C10	C5	F1	179.5°	180.0°
C10	C9	C8	H7	180.0°	180.0°
C10	C5	C6	H5	179.3°	180.0°
C5	C10	C9	H8	179.6°	179.9°
F1	C10	C9	H8	0.2°	0.1°
C4	N2	C11	C1	0.1°	0.0°
N2	C4	C3	H4	179.8°	179.7°
C4	N2	C11	H9	179.8°	179.7°
N2	C11	C1	H9	180.0°	179.7°
C11	C1	N1	H1	0.4°	179.8°
C11	C1	N1	H2	120.4°	0.1°
C11	C1	C2	H3	179.8°	179.8°
H5	C6	C7	H6	0.2°	0.0°
H6	C7	C8	H7	0.1°	0.0°
H7	C8	C9	H8	0.0°	0.1°
H3	C2	C3	H4	0.1°	0.1°

250059

PDB entries from 2026-03-04

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