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Summary Geometry Related PDB entries

UUY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	sing	1.43Å	1.36Å
C1	C2	sing	1.53Å	1.53Å
C1	N	sing	1.47Å	1.47Å
N1	C7	doub	1.32Å	1.31Å	Aromatic
N1	C3	sing	1.32Å	1.42Å	Aromatic
C7	C6	sing	1.38Å	1.42Å	Aromatic
N	C3	sing	1.39Å	1.44Å
N	C	sing	1.46Å	1.49Å
C3	C4	doub	1.39Å	1.43Å	Aromatic
C6	C5	doub	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
O	H8	sing	0.97Å	0.95Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	C1	106.9°	109.5°
C2	O	H8	109.5°	114.0°
O	C2	H11	110.1°	109.4°
O	C2	H12	110.1°	109.5°
C2	C1	N	108.4°	109.5°
C2	C1	H9	109.7°	109.4°
C2	C1	H10	109.7°	109.5°
C1	C2	H11	110.1°	109.4°
C1	C2	H12	110.1°	109.5°
C1	N	C3	121.5°	120.0°
C1	N	C	116.1°	120.0°
N	C1	H9	109.7°	109.5°
N	C1	H10	109.7°	109.5°
C7	N1	C3	117.9°	121.6°
N1	C7	C6	123.1°	120.8°
N1	C7	H4	118.4°	119.6°
N1	C3	N	117.2°	119.7°
N1	C3	C4	122.1°	120.6°
C7	C6	C5	119.2°	119.3°
C7	C6	H3	120.4°	120.3°
C6	C7	H4	118.4°	119.6°
C3	N	C	120.6°	120.1°
N	C3	C4	120.6°	119.7°
N	C	H5	109.5°	109.5°
N	C	H6	109.4°	109.5°
N	C	H7	109.5°	109.4°
C3	C4	C5	117.4°	119.1°
C3	C4	H1	121.3°	120.5°
C6	C5	C4	120.3°	118.5°
C6	C5	H2	119.8°	120.8°
C5	C6	H3	120.4°	120.4°
C5	C4	H1	121.3°	120.4°
C4	C5	H2	119.9°	120.7°
H5	C	H6	109.5°	109.4°
H5	C	H7	109.4°	109.5°
H6	C	H7	109.5°	109.4°
H9	C1	H10	109.5°	109.5°
H11	C2	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	C1	H11	119.6°	120.0°
O	C2	C1	H12	119.6°	120.0°
O	C2	C1	N	177.4°	65.0°
O	C2	C1	H9	57.5°	55.0°
O	C2	C1	H10	62.8°	175.0°
O	C2	H11	H12	121.2°	120.0°
C2	C1	N	H9	119.8°	120.0°
C2	C1	N	H10	119.9°	120.0°
C2	C1	N	C3	65.0°	90.0°
C2	C1	N	C	100.2°	90.0°
C1	C2	O	H8	180.0°	179.9°
C2	C1	H9	H10	120.5°	120.0°
C1	C2	H11	H12	121.2°	120.0°
C1	N	C3	N1	19.7°	4.9°
C1	N	C3	C	164.6°	180.0°
C1	N	C3	C4	163.1°	175.0°
C1	N	C	H5	180.0°	90.0°
C1	N	C	H6	60.0°	30.0°
C1	N	C	H7	60.0°	150.0°
N	C1	H9	H10	120.5°	120.0°
N	C1	C2	H11	63.1°	55.0°
N	C1	C2	H12	57.8°	175.0°
N1	C7	C6	H4	180.0°	180.0°
C7	N1	C3	N	175.5°	180.0°
C7	N1	C3	C4	1.7°	0.0°
N1	C7	C6	C5	1.5°	0.0°
N1	C7	C6	H3	178.5°	180.0°
C3	N1	C7	C6	0.1°	0.0°
N1	C3	N	C4	177.2°	180.0°
N1	C3	N	C	175.7°	175.0°
N1	C3	C4	C5	1.9°	0.0°
N1	C3	C4	H1	178.1°	179.9°
C3	N1	C7	H4	179.9°	180.0°
C7	C6	C5	H3	180.0°	180.0°
C7	C6	C5	C4	1.2°	0.0°
C7	C6	C5	H2	178.8°	180.0°
N	C3	C4	C5	175.1°	180.0°
N	C3	C4	H1	4.8°	0.0°
C3	N	C	H5	14.6°	90.0°
C3	N	C	H6	105.4°	150.0°
C3	N	C	H7	134.6°	30.0°
C3	N	C1	H9	175.1°	150.0°
C3	N	C1	H10	54.8°	30.0°
C	N	C3	C4	1.5°	5.0°
N	C	H5	H6	120.0°	120.1°
N	C	H5	H7	120.0°	120.0°
N	C	H6	H7	120.0°	120.0°
C	N	C1	H9	19.6°	30.0°
C	N	C1	H10	139.9°	150.0°
C3	C4	C5	C6	0.4°	0.0°
C3	C4	C5	H1	180.0°	179.9°
C3	C4	C5	H2	179.6°	180.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	H1	179.6°	180.0°
C5	C6	C7	H4	178.5°	180.0°
C4	C5	C6	H3	178.9°	180.0°
H1	C4	C5	H2	0.4°	0.0°
H2	C5	C6	H3	1.1°	0.1°
H3	C6	C7	H4	1.5°	0.0°
H5	C	H6	H7	120.0°	120.0°
H8	O	C2	H11	60.4°	60.0°
H8	O	C2	H12	60.4°	60.0°
H9	C1	C2	H11	177.1°	175.0°
H9	C1	C2	H12	62.1°	65.0°
H10	C1	C2	H11	56.8°	65.0°
H10	C1	C2	H12	177.6°	55.0°

246704

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