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Summary Geometry Related PDB entries

A1CWN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.37Å	1.42Å
N2	C1	sing	1.35Å	1.36Å
C1	S1	doub	1.71Å	1.68Å
C1	N3	sing	1.35Å	1.33Å
N3	C2	sing	1.46Å	1.46Å
C2	C3	sing	1.51Å	1.49Å
C3	C4	doub	1.33Å	1.36Å	Aromatic
C4	C5	sing	1.38Å	1.45Å	Aromatic
C5	C6	doub	1.33Å	1.34Å	Aromatic
C6	S2	sing	1.76Å	1.73Å	Aromatic
C3	S2	sing	1.76Å	1.74Å	Aromatic
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
C6	H9	sing	1.08Å	1.08Å
C5	H8	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.08Å	1.08Å
N2	H3	sing	0.97Å	1.00Å
N3	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	N2	C1	123.7°	120.0°
N2	N1	H1	109.5°	111.0°
N2	N1	H2	109.5°	111.0°
N1	N2	H3	118.1°	120.0°
N2	C1	S1	61.5°	120.0°
N2	C1	N3	131.6°	120.0°
C1	N2	H3	118.1°	120.0°
S1	C1	N3	70.1°	120.0°
C1	N3	C2	121.4°	120.0°
C1	N3	H4	119.3°	120.0°
N3	C2	C3	115.2°	109.5°
N3	C2	H5	108.0°	109.5°
N3	C2	H6	108.0°	109.5°
C2	N3	H4	119.3°	120.0°
C2	C3	C4	130.7°	125.2°
C2	C3	S2	118.7°	125.2°
C3	C2	H5	108.0°	109.5°
C3	C2	H6	108.0°	109.4°
C3	C4	C5	110.7°	114.9°
C4	C3	S2	110.6°	109.6°
C3	C4	H7	124.6°	122.6°
C4	C5	C6	116.6°	114.9°
C4	C5	H8	121.7°	122.5°
C5	C4	H7	124.6°	122.5°
C5	C6	S2	108.3°	109.6°
C5	C6	H9	125.8°	125.2°
C6	C5	H8	121.7°	122.6°
C6	S2	C3	93.8°	91.0°
S2	C6	H9	125.9°	125.2°
H1	N1	H2	109.5°	111.1°
H5	C2	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	N2	C1	H3	180.0°	180.0°
N1	N2	C1	S1	179.5°	180.0°
N1	N2	C1	N3	179.6°	0.0°
N2	N1	H1	H2	120.0°	124.0°
N2	C1	S1	N3	179.3°	179.9°
N2	C1	N3	C2	177.7°	180.0°
C1	N2	N1	H1	180.0°	179.9°
C1	N2	N1	H2	60.0°	56.0°
N2	C1	N3	H4	2.3°	0.1°
S1	C1	N3	C2	176.8°	0.1°
S1	C1	N2	H3	0.5°	0.0°
S1	C1	N3	H4	3.2°	180.0°
C1	N3	C2	H4	180.0°	179.9°
C1	N3	C2	C3	151.1°	180.0°
C1	N3	C2	H5	30.3°	60.0°
C1	N3	C2	H6	88.1°	60.0°
N3	C1	N2	H3	0.4°	180.0°
N3	C2	C3	H5	120.8°	120.1°
N3	C2	C3	H6	120.8°	120.0°
N3	C2	C3	C4	95.1°	90.0°
N3	C2	C3	S2	84.8°	90.1°
N3	C2	H5	H6	117.4°	120.0°
C2	C3	C4	S2	179.9°	179.9°
C2	C3	C4	C5	179.8°	180.0°
C2	C3	S2	C6	179.9°	179.9°
C3	C2	H5	H6	117.4°	119.9°
C2	C3	C4	H7	0.2°	0.1°
C3	C2	N3	H4	28.9°	0.1°
C3	C4	C5	H7	180.0°	179.9°
C3	C4	C5	C6	0.4°	0.1°
C4	C3	S2	C6	0.1°	0.0°
C3	C4	C5	H8	179.6°	180.0°
C4	C3	C2	H5	25.8°	149.9°
C4	C3	C2	H6	144.1°	30.0°
C4	C5	C6	H8	180.0°	179.9°
C4	C5	C6	S2	0.3°	0.1°
C5	C4	C3	S2	0.3°	0.1°
C4	C5	C6	H9	179.7°	179.7°
C5	C6	S2	H9	180.0°	179.7°
C5	C6	S2	C3	0.1°	0.0°
C6	C5	C4	H7	179.6°	180.0°
S2	C6	C5	H8	179.7°	180.0°
C3	S2	C6	H9	179.9°	179.7°
S2	C3	C2	H5	154.3°	30.0°
S2	C3	C2	H6	36.0°	150.0°
S2	C3	C4	H7	179.7°	180.0°
H1	N1	N2	H3	0.0°	0.1°
H2	N1	N2	H3	120.0°	124.0°
H9	C6	C5	H8	0.3°	0.4°
H8	C5	C4	H7	0.4°	0.1°
H5	C2	N3	H4	149.8°	120.0°
H6	C2	N3	H4	91.9°	120.0°

250059

PDB entries from 2026-03-04

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