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Summary Geometry Related PDB entries

Obsolete: NNS

NNS was replaced with TYL on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C7	sing	1.51Å	1.50Å
C	H11	sing	1.09Å	1.11Å
C	H12	sing	1.09Å	1.11Å
C	H13	sing	1.09Å	1.11Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
C1	N	sing	1.40Å	1.32Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.07Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	O	sing	1.36Å	1.43Å
C4	C5	sing	1.39Å	1.40Å	Aromatic
O	H4	sing	0.97Å	0.96Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.06Å
C6	H6	sing	1.08Å	1.08Å
N	C7	sing	1.35Å	1.44Å
N	H1	sing	0.97Å	1.01Å
C7	O1	doub	1.21Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C	H11	112.1°	109.4°
C7	C	H12	111.6°	109.5°
C7	C	H13	109.5°	109.5°
C	C7	N	115.8°	120.1°
C	C7	O1	122.2°	120.0°
H11	C	H12	106.3°	109.5°
H11	C	H13	108.2°	109.5°
H12	C	H13	109.0°	109.5°
C2	C1	C6	120.0°	120.0°
C2	C1	N	120.0°	120.0°
C1	C2	C3	120.0°	120.0°
C1	C2	H2	121.9°	120.1°
C6	C1	N	120.0°	120.0°
C1	C6	C5	120.0°	119.9°
C1	C6	H6	120.3°	120.0°
C1	N	C7	141.1°	120.0°
C1	N	H1	109.9°	120.0°
C3	C2	H2	117.4°	119.9°
C2	C3	C4	119.9°	120.0°
C2	C3	H3	120.1°	120.0°
C4	C3	H3	120.0°	119.9°
C3	C4	O	119.9°	120.0°
C3	C4	C5	120.1°	120.0°
O	C4	C5	120.0°	120.0°
C4	O	H4	114.7°	106.8°
C4	C5	C6	120.0°	120.1°
C4	C5	H5	123.0°	120.0°
C6	C5	H5	117.0°	120.0°
C5	C6	H6	119.7°	120.1°
C7	N	H1	108.8°	120.0°
N	C7	O1	121.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C	H11	H12	122.2°	120.0°
C7	C	H11	H13	120.9°	120.0°
C7	C	H12	H13	121.0°	120.0°
C	C7	N	C1	175.7°	174.4°
C	C7	N	O1	178.4°	180.0°
C	C7	N	H1	10.7°	5.6°
H11	C	H12	H13	116.4°	120.0°
H11	C	C7	N	171.1°	60.0°
H11	C	C7	O1	7.3°	120.0°
H12	C	C7	N	52.0°	180.0°
H12	C	C7	O1	126.4°	0.0°
H13	C	C7	N	68.7°	60.0°
H13	C	C7	O1	112.9°	120.0°
C2	C1	C6	N	179.9°	179.6°
C1	C2	C3	H2	170.5°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	C5	0.0°	0.6°
C2	C1	C6	H6	179.8°	180.0°
C2	C1	N	C7	2.0°	37.4°
C2	C1	N	H1	175.6°	142.6°
C6	C1	C2	C3	0.0°	0.3°
C6	C1	C2	H2	170.1°	179.7°
C1	C6	C5	C4	0.0°	0.6°
C1	C6	C5	H6	179.8°	179.4°
C1	C6	C5	H5	180.0°	179.7°
C6	C1	N	C7	178.1°	143.0°
C6	C1	N	H1	4.4°	37.0°
N	C1	C2	C3	179.9°	179.9°
N	C1	C2	H2	10.0°	0.1°
N	C1	C6	C5	179.9°	179.8°
N	C1	C6	H6	0.3°	0.4°
C1	N	C7	H1	173.7°	180.0°
C1	N	C7	O1	5.9°	5.6°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	O	179.9°	180.0°
C2	C3	C4	C5	0.1°	0.0°
H2	C2	C3	C4	170.5°	180.0°
H2	C2	C3	H3	9.5°	0.0°
C3	C4	O	C5	180.0°	179.9°
C3	C4	O	H4	162.1°	90.1°
C3	C4	C5	C6	0.0°	0.3°
C3	C4	C5	H5	179.9°	180.0°
H3	C3	C4	O	0.1°	0.0°
H3	C3	C4	C5	179.9°	180.0°
O	C4	C5	C6	180.0°	179.7°
O	C4	C5	H5	0.1°	0.0°
C5	C4	O	H4	17.9°	90.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	H6	179.8°	180.0°
H5	C5	C6	H6	0.2°	0.3°
H1	N	C7	O1	167.8°	174.4°

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