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Summary Geometry Related PDB entries

VRM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N7	C2	doub	1.31Å	1.31Å	Aromatic
N7	N5	sing	1.40Å	1.33Å	Aromatic
C1	C2	sing	1.51Å	1.53Å
C2	C3	sing	1.40Å	1.41Å	Aromatic
N5	C4	sing	1.36Å	1.31Å	Aromatic
C4	C3	doub	1.37Å	1.41Å	Aromatic
C4	C8	sing	1.48Å	1.53Å
C8	C13	doub	1.40Å	1.39Å	Aromatic
C8	C9	sing	1.40Å	1.39Å	Aromatic
C13	N12	sing	1.32Å	1.32Å	Aromatic
C9	C10	doub	1.38Å	1.39Å	Aromatic
N12	C11	doub	1.32Å	1.32Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C1	H13	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C11	H111	sing	1.08Å	1.08Å
C3	H31	sing	1.08Å	1.08Å
C9	H91	sing	1.08Å	1.08Å
N5	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N7	N5	109.7°	108.5°
N7	C2	C1	126.3°	125.7°
N7	C2	C3	107.9°	108.6°
N7	N5	C4	110.8°	107.7°
N7	N5	H1	124.6°	126.1°
C1	C2	C3	125.8°	125.7°
C2	C1	H13	109.5°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H11	109.5°	109.5°
C2	C3	C4	104.4°	107.9°
C2	C3	H31	127.8°	126.1°
N5	C4	C3	107.1°	107.3°
N5	C4	C8	126.7°	126.3°
C4	N5	H1	124.6°	126.1°
C3	C4	C8	126.2°	126.4°
C4	C3	H31	127.8°	126.0°
C4	C8	C13	120.1°	120.5°
C4	C8	C9	120.5°	120.6°
C13	C8	C9	119.4°	118.9°
C8	C13	N12	121.2°	120.6°
C8	C13	H131	119.4°	119.7°
C8	C9	C10	117.9°	118.3°
C8	C9	H91	121.0°	120.9°
C13	N12	C11	120.8°	121.9°
N12	C13	H131	119.4°	119.7°
C9	C10	C11	119.1°	119.3°
C9	C10	H101	120.4°	120.4°
C10	C9	H91	121.0°	120.9°
N12	C11	C10	121.5°	121.0°
N12	C11	H111	119.2°	119.5°
C11	C10	H101	120.4°	120.3°
C10	C11	H111	119.3°	119.5°
H13	C1	H12	109.4°	109.4°
H13	C1	H11	109.5°	109.4°
H12	C1	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C2	C1	C3	180.0°	179.6°
C2	N7	N5	C4	0.1°	0.2°
N7	C2	C3	C4	0.0°	0.3°
N7	C2	C1	H13	0.0°	89.5°
N7	C2	C1	H12	120.0°	30.4°
N7	C2	C1	H11	120.0°	150.5°
N7	C2	C3	H31	179.9°	179.6°
C2	N7	N5	H1	179.9°	179.7°
N5	N7	C2	C1	180.0°	180.0°
N5	N7	C2	C3	0.0°	0.3°
N7	N5	C4	H1	180.0°	179.9°
N7	N5	C4	C3	0.1°	0.0°
N7	N5	C4	C8	179.7°	179.8°
C1	C2	C3	C4	180.0°	180.0°
C2	C1	H13	H12	120.0°	120.0°
C2	C1	H13	H11	120.0°	120.1°
C2	C1	H12	H11	120.0°	120.1°
C1	C2	C3	H31	0.1°	0.1°
C2	C3	C4	N5	0.1°	0.2°
C2	C3	C4	H31	180.0°	179.9°
C2	C3	C4	C8	179.6°	180.0°
C3	C2	C1	H13	180.0°	90.1°
C3	C2	C1	H12	60.0°	150.0°
C3	C2	C1	H11	60.0°	29.9°
N5	C4	C3	C8	179.5°	179.8°
N5	C4	C8	C13	15.1°	179.7°
N5	C4	C8	C9	164.2°	0.6°
N5	C4	C3	H31	179.9°	179.7°
C3	C4	C8	C13	165.4°	0.0°
C3	C4	C8	C9	15.2°	179.7°
C3	C4	N5	H1	179.9°	179.9°
C4	C8	C13	C9	179.4°	179.7°
C4	C8	C13	N12	179.6°	180.0°
C4	C8	C9	C10	179.7°	180.0°
C4	C8	C13	H131	0.4°	0.0°
C8	C4	C3	H31	0.3°	0.1°
C4	C8	C9	H91	0.3°	0.0°
C8	C4	N5	H1	0.4°	0.3°
C8	C13	N12	H131	180.0°	180.0°
C13	C8	C9	C10	0.3°	0.3°
C8	C13	N12	C11	0.0°	0.0°
C13	C8	C9	H91	179.7°	179.7°
C9	C8	C13	N12	0.2°	0.3°
C8	C9	C10	H91	180.0°	179.9°
C8	C9	C10	C11	0.2°	0.0°
C8	C9	C10	H101	179.8°	179.7°
C9	C8	C13	H131	179.8°	179.7°
C13	N12	C11	C10	0.1°	0.3°
C13	N12	C11	H111	179.9°	179.7°
C9	C10	C11	N12	0.0°	0.3°
C9	C10	C11	H101	180.0°	179.7°
C9	C10	C11	H111	180.0°	179.7°
N12	C11	C10	H111	180.0°	180.0°
N12	C11	C10	H101	179.9°	180.0°
C11	N12	C13	H131	180.0°	180.0°
C11	C10	C9	H91	179.8°	180.0°
H101	C10	C11	H111	0.1°	0.0°
H101	C10	C9	H91	0.2°	0.3°
H13	C1	H12	H11	120.0°	119.9°

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