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Summary Geometry Related PDB entries

2KA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.36Å	Aromatic
C8	C7	doub	1.36Å	1.37Å	Aromatic
C4	N3	sing	1.34Å	1.35Å
C4	C5	doub	1.40Å	1.45Å	Aromatic
C7	C5	sing	1.47Å	1.45Å	Aromatic
C7	C7A	sing	1.47Å	1.51Å
N3	C2	doub	1.31Å	1.32Å
O7A	C7A	doub	1.22Å	1.26Å
C5	C6	sing	1.41Å	1.44Å
C7A	O7B	sing	1.35Å	1.24Å
C2	N2	sing	1.37Å	1.34Å
C2	N1	sing	1.36Å	1.37Å
C6	N1	sing	1.35Å	1.39Å
C6	O6	doub	1.22Å	1.23Å
O7B	H1	sing	0.97Å	0.95Å
C8	H2	sing	1.08Å	1.08Å
N9	H3	sing	0.97Å	1.00Å
N2	H4	sing	0.97Å	1.00Å
N2	H5	sing	0.97Å	1.00Å
N1	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N9	C4	108.6°	110.6°
N9	C8	C7	111.4°	109.5°
N9	C8	H2	124.3°	125.3°
C8	N9	H3	125.7°	124.7°
N9	C4	N3	125.8°	133.3°
N9	C4	C5	108.3°	107.6°
C4	N9	H3	125.7°	124.7°
C8	C7	C5	106.2°	106.2°
C8	C7	C7A	123.0°	126.9°
C7	C8	H2	124.3°	125.2°
N3	C4	C5	125.7°	119.1°
C4	N3	C2	115.8°	121.2°
C4	C5	C7	105.4°	106.1°
C4	C5	C6	116.4°	119.2°
C5	C7	C7A	130.2°	126.9°
C7	C5	C6	138.0°	134.6°
C7	C7A	O7A	117.3°	120.0°
C7	C7A	O7B	117.1°	120.0°
N3	C2	N2	119.7°	119.0°
N3	C2	N1	123.0°	122.1°
O7A	C7A	O7B	125.6°	120.0°
C5	C6	N1	114.4°	118.3°
C5	C6	O6	126.2°	120.9°
C7A	O7B	H1	109.5°	117.0°
N2	C2	N1	117.3°	118.9°
C2	N2	H4	120.0°	120.0°
C2	N2	H5	120.0°	120.0°
C2	N1	C6	124.7°	120.1°
C2	N1	H6	117.6°	119.9°
N1	C6	O6	119.4°	120.8°
C6	N1	H6	117.7°	120.0°
H4	N2	H5	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N9	C4	H3	180.0°	179.9°
N9	C8	C7	H2	180.0°	180.0°
C8	N9	C4	N3	175.2°	180.0°
C8	N9	C4	C5	1.1°	0.4°
N9	C8	C7	C5	1.9°	0.0°
N9	C8	C7	C7A	169.7°	179.8°
C4	N9	C8	C7	0.5°	0.2°
N9	C4	N3	C5	175.6°	179.5°
N9	C4	C5	C7	2.2°	0.4°
N9	C4	N3	C2	174.9°	180.0°
N9	C4	C5	C6	178.3°	179.7°
C4	N9	C8	H2	179.4°	179.7°
C8	C7	C5	C4	2.4°	0.3°
C8	C7	C5	C7A	170.8°	179.8°
C8	C7	C7A	O7A	15.5°	179.7°
C8	C7	C5	C6	177.2°	179.8°
C8	C7	C7A	O7B	167.3°	0.3°
C7	C8	N9	H3	179.4°	179.9°
N3	C4	C5	C7	174.1°	180.0°
N3	C4	C5	C6	2.0°	0.0°
C4	N3	C2	N2	174.6°	180.0°
C4	N3	C2	N1	2.9°	0.0°
N3	C4	N9	H3	4.8°	0.2°
C4	C5	C7	C6	174.7°	179.9°
C4	C5	C7	C7A	168.3°	180.0°
C5	C4	N3	C2	0.7°	0.4°
C4	C5	C6	N1	2.5°	0.9°
C4	C5	C6	O6	178.0°	180.0°
C5	C4	N9	H3	178.9°	179.8°
C5	C7	C7A	O7A	153.9°	0.0°
C5	C7	C7A	O7B	23.3°	180.0°
C7	C5	C6	N1	171.9°	179.0°
C7	C5	C6	O6	7.7°	0.0°
C5	C7	C8	H2	178.1°	180.0°
C7	C7A	O7A	O7B	177.0°	179.9°
C7A	C7	C5	C6	6.4°	0.0°
C7	C7A	O7B	H1	177.0°	180.0°
C7A	C7	C8	H2	10.3°	0.3°
N3	C2	N2	N1	177.6°	180.0°
N3	C2	N1	C6	2.4°	1.0°
N3	C2	N2	H4	0.0°	0.1°
N3	C2	N2	H5	180.0°	180.0°
N3	C2	N1	H6	177.6°	180.0°
O7A	C7A	O7B	H1	0.0°	0.1°
C5	C6	N1	C2	0.5°	1.4°
C5	C6	N1	O6	179.6°	179.1°
C5	C6	N1	H6	179.5°	179.6°
N2	C2	N1	C6	175.1°	179.1°
C2	N2	H4	H5	180.0°	179.9°
N2	C2	N1	H6	4.9°	0.0°
C2	N1	C6	H6	180.0°	179.1°
C2	N1	C6	O6	179.9°	179.6°
N1	C2	N2	H4	177.6°	180.0°
N1	C2	N2	H5	2.4°	0.1°
O6	C6	N1	H6	0.1°	0.5°
H2	C8	N9	H3	0.6°	0.1°

218500

PDB entries from 2024-04-17

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