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Summary Geometry Related PDB entries

LWG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.22Å
C1	C4	sing	1.42Å	1.41Å
C1	N1	sing	1.35Å	1.37Å
N1	C2	sing	1.36Å	1.37Å
N1	HN1	sing	0.97Å	1.00Å
S1	C4	sing	1.75Å	1.71Å	Aromatic
S1	C5	sing	1.76Å	1.72Å	Aromatic
CL1	C6	sing	1.74Å	1.73Å
C2	N2	doub	1.30Å	1.30Å
C2	H2	sing	1.08Å	1.08Å
C3	N2	sing	1.36Å	1.40Å
C9	CL2	sing	1.74Å	1.74Å
C4	C3	doub	1.38Å	1.37Å	Aromatic
C3	C10	sing	1.47Å	1.42Å	Aromatic
C6	C5	sing	1.40Å	1.37Å	Aromatic
C5	C10	doub	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.37Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	doub	1.37Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C9	sing	1.41Å	1.39Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C4	125.2°	120.7°
O1	C1	N1	125.9°	120.6°
C4	C1	N1	108.9°	118.7°
C1	C4	S1	122.2°	130.3°
C1	C4	C3	126.3°	118.7°
C1	N1	C2	123.8°	120.0°
C1	N1	HN1	118.1°	120.0°
C2	N1	HN1	118.1°	120.0°
N1	C2	N2	127.9°	121.9°
N1	C2	H2	116.0°	119.1°
C4	S1	C5	91.7°	92.8°
S1	C4	C3	111.4°	110.9°
S1	C5	C6	123.9°	129.9°
S1	C5	C10	112.7°	110.5°
CL1	C6	C5	118.4°	119.8°
CL1	C6	C7	124.2°	119.8°
N2	C2	H2	116.1°	119.0°
C2	N2	C3	111.8°	121.8°
N2	C3	C4	121.3°	118.8°
N2	C3	C10	124.5°	128.1°
CL2	C9	C8	123.9°	119.8°
CL2	C9	C10	117.4°	119.8°
C4	C3	C10	114.2°	113.0°
C3	C10	C5	109.9°	112.7°
C3	C10	C9	131.8°	128.2°
C6	C5	C10	123.4°	119.6°
C5	C6	C7	117.4°	120.4°
C5	C10	C9	118.4°	119.2°
C6	C7	C8	120.5°	120.2°
C6	C7	H7	119.8°	119.9°
C8	C7	H7	119.7°	119.9°
C7	C8	C9	121.8°	120.3°
C7	C8	H8	119.1°	119.9°
C9	C8	H8	119.1°	119.8°
C8	C9	C10	118.7°	120.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C4	N1	179.8°	179.7°
O1	C1	N1	C2	179.9°	179.7°
O1	C1	N1	HN1	0.1°	0.3°
O1	C1	C4	S1	0.0°	0.3°
O1	C1	C4	C3	179.6°	179.7°
C4	C1	N1	C2	0.1°	0.0°
C4	C1	N1	HN1	179.9°	180.0°
C1	C4	S1	C3	179.7°	180.0°
C1	C4	S1	C5	180.0°	180.0°
C1	C4	C3	N2	0.4°	0.0°
C1	C4	C3	C10	180.0°	180.0°
C1	N1	C2	HN1	180.0°	180.0°
N1	C1	C4	S1	179.8°	180.0°
C1	N1	C2	N2	0.2°	0.0°
C1	N1	C2	H2	179.8°	180.0°
N1	C1	C4	C3	0.2°	0.0°
N1	C2	N2	H2	180.0°	180.0°
N1	C2	N2	C3	0.1°	0.0°
HN1	N1	C2	N2	179.7°	180.0°
HN1	N1	C2	H2	0.2°	0.0°
S1	C4	C3	N2	180.0°	180.0°
S1	C4	C3	C10	0.4°	0.0°
C4	S1	C5	C6	179.4°	180.0°
C4	S1	C5	C10	0.3°	0.0°
S1	C5	C6	CL1	0.4°	0.0°
C5	S1	C4	C3	0.4°	0.0°
S1	C5	C10	C3	0.1°	0.0°
S1	C5	C6	C10	179.7°	180.0°
S1	C5	C6	C7	179.9°	180.0°
S1	C5	C10	C9	179.7°	180.0°
CL1	C6	C5	C7	179.7°	180.0°
CL1	C6	C5	C10	179.3°	180.0°
CL1	C6	C7	C8	179.8°	180.0°
CL1	C6	C7	H7	0.2°	0.0°
C2	N2	C3	C4	0.2°	0.0°
C2	N2	C3	C10	179.7°	180.0°
H2	C2	N2	C3	179.9°	180.0°
N2	C3	C4	C10	179.6°	180.0°
N2	C3	C10	C5	179.7°	180.0°
N2	C3	C10	C9	0.4°	0.1°
CL2	C9	C10	C3	0.4°	0.0°
CL2	C9	C10	C5	179.4°	180.0°
CL2	C9	C8	C7	179.9°	180.0°
CL2	C9	C8	C10	179.6°	180.0°
CL2	C9	C8	H8	0.1°	0.0°
C4	C3	C10	C5	0.2°	0.0°
C4	C3	C10	C9	180.0°	180.0°
C3	C10	C5	C6	179.6°	180.0°
C3	C10	C5	C9	179.9°	180.0°
C3	C10	C9	C8	180.0°	180.0°
C5	C6	C7	C8	0.2°	0.0°
C5	C6	C7	H7	179.9°	180.0°
C6	C5	C10	C9	0.5°	0.0°
C10	C5	C6	C7	0.3°	0.0°
C5	C10	C9	C8	0.2°	0.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.5°	0.0°
C6	C7	C8	H8	179.5°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.3°	0.0°
H7	C7	C8	C9	179.5°	180.0°
H7	C7	C8	H8	0.5°	0.0°
H8	C8	C9	C10	179.7°	180.0°

250359

PDB entries from 2026-03-11

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