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Summary Geometry Related PDB entries

CWM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N8	C7	sing	1.36Å	1.40Å	Aromatic
N8	C9	doub	1.30Å	1.33Å	Aromatic
C3	C7	doub	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.40Å	1.36Å	Aromatic
C11	C9	sing	1.51Å	1.49Å
C9	N10	sing	1.36Å	1.36Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C6	N10	sing	1.38Å	1.38Å	Aromatic
C6	C4	doub	1.39Å	1.40Å	Aromatic
C1	C4	sing	1.38Å	1.39Å	Aromatic
C4	O5	sing	1.36Å	1.36Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
N10	H7	sing	0.97Å	1.00Å
O5	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	N8	C9	104.5°	109.7°
N8	C7	C3	130.3°	133.5°
N8	C7	C6	109.8°	107.0°
N8	C9	C11	125.1°	125.0°
N8	C9	N10	112.4°	110.0°
C7	C3	C2	119.0°	119.9°
C3	C7	C6	119.9°	119.5°
C7	C3	H3	120.5°	120.1°
C3	C2	C1	121.0°	120.5°
C3	C2	H2	119.5°	119.7°
C2	C3	H3	120.5°	120.0°
C7	C6	N10	106.7°	106.1°
C7	C6	C4	122.1°	119.9°
C11	C9	N10	122.5°	125.0°
C9	C11	H4	109.5°	109.4°
C9	C11	H5	109.5°	109.5°
C9	C11	H6	109.5°	109.5°
C9	N10	C6	106.6°	107.3°
C9	N10	H7	126.7°	126.3°
C2	C1	C4	120.3°	120.4°
C2	C1	H1	119.9°	119.8°
C1	C2	H2	119.5°	119.7°
N10	C6	C4	131.2°	134.0°
C6	N10	H7	126.7°	126.4°
C6	C4	C1	117.7°	119.7°
C6	C4	O5	122.1°	120.1°
C1	C4	O5	120.2°	120.1°
C4	C1	H1	119.8°	119.8°
C4	O5	H9	109.5°	114.0°
H4	C11	H5	109.5°	109.5°
H4	C11	H6	109.5°	109.5°
H5	C11	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N8	C7	C3	C6	179.2°	179.7°
N8	C7	C3	C2	179.0°	180.0°
C7	N8	C9	C11	179.4°	179.9°
C7	N8	C9	N10	0.1°	0.7°
N8	C7	C6	N10	0.0°	0.1°
N8	C7	C6	C4	179.3°	179.7°
N8	C7	C3	H3	1.0°	0.0°
C9	N8	C7	C3	179.3°	179.4°
C9	N8	C7	C6	0.0°	0.4°
N8	C9	C11	N10	179.5°	179.1°
N8	C9	N10	C6	0.1°	0.7°
N8	C9	C11	H4	0.0°	90.8°
N8	C9	C11	H5	120.0°	29.2°
N8	C9	C11	H6	120.0°	149.2°
N8	C9	N10	H7	179.9°	179.3°
C7	C3	C2	H3	180.0°	180.0°
C7	C3	C2	C1	0.3°	0.0°
C3	C7	C6	N10	179.3°	179.9°
C3	C7	C6	C4	0.1°	0.5°
C7	C3	C2	H2	179.7°	179.9°
C2	C3	C7	C6	0.1°	0.2°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C4	0.4°	0.1°
C3	C2	C1	H1	179.6°	179.7°
C7	C6	N10	C9	0.1°	0.5°
C7	C6	N10	C4	179.1°	179.6°
C7	C6	C4	C1	0.2°	0.5°
C7	C6	C4	O5	179.0°	179.5°
C6	C7	C3	H3	179.8°	179.8°
C7	C6	N10	H7	179.9°	179.6°
C11	C9	N10	C6	179.4°	180.0°
C9	C11	H4	H5	120.0°	120.0°
C9	C11	H4	H6	120.0°	120.0°
C9	C11	H5	H6	120.0°	120.0°
C11	C9	N10	H7	0.6°	0.1°
C9	N10	C6	H7	180.0°	179.9°
C9	N10	C6	C4	179.2°	180.0°
N10	C9	C11	H4	179.5°	90.0°
N10	C9	C11	H5	59.4°	149.9°
N10	C9	C11	H6	60.5°	30.0°
C2	C1	C4	C6	0.3°	0.3°
C2	C1	C4	H1	180.0°	179.7°
C2	C1	C4	O5	178.9°	179.7°
C1	C2	C3	H3	179.7°	179.9°
N10	C6	C4	C1	179.2°	180.0°
N10	C6	C4	O5	0.0°	0.0°
C6	C4	C1	O5	179.2°	180.0°
C6	C4	C1	H1	179.7°	180.0°
C4	C6	N10	H7	0.8°	0.0°
C6	C4	O5	H9	180.0°	90.0°
C4	C1	C2	H2	179.6°	180.0°
C1	C4	O5	H9	0.8°	90.0°
O5	C4	C1	H1	1.2°	0.0°
H1	C1	C2	H2	0.4°	0.4°
H2	C2	C3	H3	0.3°	0.1°
H4	C11	H5	H6	120.0°	120.0°

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PDB entries from 2026-01-28

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